bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane

C92H148N8 — CID 172929192

IUPACbis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCc1ccc2cc(CC)c(/C(C)=N\NC(C)C)cc2c1.CCc1ccc2cc(CC)c(/C(C)=N\NC(C)C)cc2c1.CCc1cccc2c(CC)c(/C(C)=N/N=C(C)C)ccc12.CCc1cccc2c(CC)c(/C(C)=N/N=C(C)C)ccc12
InChIInChI=1S/2C19H26N2.2C19H24N2.8C2H6/c2*1-6-15-8-9-17-11-16(7-2)19(12-18(17)10-15)14(5)21-20-13(3)4;2*1-6-15-9-8-10-19-16(7-2)17(11-12-18(15)19)14(5)21-20-13(3)4;8*1-2/h2*8-13,20H,6-7H2,1-5H3;2*8-12H,6-7H2,1-5H3;8*1-2H3/b2*21-14-;2*21-14+;;;;;;;;
InChIKeyIRNYHKZLSCKBDD-DQPWLRGWSA-N
MW1366.25 g/mol
LogP27.92
Rot. Bonds18

About bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane

bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane (PubChem CID 172929192) has the molecular formula C92H148N8 and a molecular weight of 1366.25 g/mol. Its IUPAC name is bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane.

Molecular Properties

Compound Namebis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane
PubChem CID172929192
Molecular FormulaC92H148N8
Molecular Weight1366.25 g/mol
Exact Mass1365.18
IUPAC Namebis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCc1ccc2cc(CC)c(/C(C)=N\NC(C)C)cc2c1.CCc1ccc2cc(CC)c(/C(C)=N\NC(C)C)cc2c1.CCc1cccc2c(CC)c(/C(C)=N/N=C(C)C)ccc12.CCc1cccc2c(CC)c(/C(C)=N/N=C(C)C)ccc12
InChIInChI=1S/2C19H26N2.2C19H24N2.8C2H6/c2*1-6-15-8-9-17-11-16(7-2)19(12-18(17)10-15)14(5)21-20-13(3)4;2*1-6-15-9-8-10-19-16(7-2)17(11-12-18(15)19)14(5)21-20-13(3)4;8*1-2/h2*8-13,20H,6-7H2,1-5H3;2*8-12H,6-7H2,1-5H3;8*1-2H3/b2*21-14-;2*21-14+;;;;;;;;
InChIKeyIRNYHKZLSCKBDD-DQPWLRGWSA-N
XLogP27.92
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001366.25
LogP ≤ 527.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(2,6-diethylnaphthalen-1-yl)ethylideneamino]propan-2-amine;N-[(E)-1-(3,7-diethylnaphthalen-1-yl)ethylideneamino]propan-2-amine;(E)-N-[(E)-1-(2,6-diethylnaphthalen-1-yl)ethylideneamino]propan-2-imine;(E)-N-[(E)-1-(3,7-diethylnaphthalen-1-yl)ethylideneamino]propan-2-imine;(Z)-N-[(Z)-1-(5,8-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine;ethane
CID 172930889
(E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine
CID 172923604
(E)-1-(2,3-diethylphenyl)-N-(methylideneamino)ethanimine;bis((E)-1-(2,4-diethylphenyl)-N-(methylideneamino)ethanimine);(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine;ethane
CID 172966442
(Z)-N-[(Z)-1-(5,8-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine
CID 160652434
carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)
CID 159888057
N-[(E)-1-(3,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine
CID 172922751
ethane;2-ethylnaphthalene
CID 90684887
ethane;2-ethylnaphthalene;methane;1-methylnaphthalene
CID 144603331
7,9-diethylbenzo[a]anthracene
CID 91740932
2-ethyl-9,10-dimethylanthracene;4-ethyl-7,12-dimethylbenzo[a]anthracene;7-ethyl-4,12-dimethylbenzo[a]anthracene;9-ethyl-10-methylanthracene
CID 161188979
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
6-ethyl-1-propan-2-ylnaphthalene
CID 123206196

Frequently Asked Questions

What is the IUPAC name of bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane?
The IUPAC name of bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane (CID 172929192) is bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane.
What is the SMILES notation for bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane?
The canonical SMILES for bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane is CC.CC.CC.CC.CC.CC.CC.CC.CCc1ccc2cc(CC)c(/C(C)=N\NC(C)C)cc2c1.CCc1ccc2cc(CC)c(/C(C)=N\NC(C)C)cc2c1.CCc1cccc2c(CC)c(/C(C)=N/N=C(C)C)ccc12.CCc1cccc2c(CC)c(/C(C)=N/N=C(C)C)ccc12.
What is the InChIKey of bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane?
The InChIKey is IRNYHKZLSCKBDD-DQPWLRGWSA-N. The full InChI is InChI=1S/2C19H26N2.2C19H24N2.8C2H6/c2*1-6-15-8-9-17-11-16(7-2)19(12-18(17)10-15)14(5)21-20-13(3)4;2*1-6-15-9-8-10-19-16(7-2)17(11-12-18(15)19)14(5)21-20-13(3)4;8*1-2/h2*8-13,20H,6-7H2,1-5H3;2*8-12H,6-7H2,1-5H3;8*1-2H3/b2*21-14-;2*21-14+;;;;;;;;.
What are the key properties of bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane?
bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane has a molecular weight of 1366.25 g/mol, XLogP of 27.92, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane is sourced from PubChem (CID 172929192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).