2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine

C18H36N4 — CID 102382107

IUPAC2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine
SMILESCC(C)/C=N/CCN(CC/N=C/C(C)C)CC/N=C/C(C)C
InChIInChI=1S/C18H36N4/c1-16(2)13-19-7-10-22(11-8-20-14-17(3)4)12-9-21-15-18(5)6/h13-18H,7-12H2,1-6H3/b19-13+,20-14+,21-15+
InChIKeyKOVIEQQJDLLRJK-KXVWNZKWSA-N
MW308.51 g/mol
LogP3.47
Rot. Bonds12

About 2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine

2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine (PubChem CID 102382107) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine
PubChem CID102382107
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine
SMILESCC(C)/C=N/CCN(CC/N=C/C(C)C)CC/N=C/C(C)C
InChIInChI=1S/C18H36N4/c1-16(2)13-19-7-10-22(11-8-20-14-17(3)4)12-9-21-15-18(5)6/h13-18H,7-12H2,1-6H3/b19-13+,20-14+,21-15+
InChIKeyKOVIEQQJDLLRJK-KXVWNZKWSA-N
XLogP3.47
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylpropylideneamino)ethyl]ethane-1,2-diamine
CID 88832515
[(E)-2-methylpropylideneamino]methylphosphonic acid
CID 177272189
2-methyl-N-(3-phenylselanylpropyl)propan-1-imine
CID 15350949
copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide
CID 169422766
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide
CID 153452857
N'-(2-aminoethyl)-N'-[2-[[5-[2-[3,5-bis(3-methylbut-1-ynyl)phenyl]ethynyl]-2-propan-2-ylphenyl]methylideneamino]ethyl]ethane-1,2-diamine
CID 129166511
N-bromo-N-(2-methylpropylideneamino)methanamine
CID 123753920
2-methyl-N-[(Z)-2-methylpropylideneamino]-N-propan-2-ylpropan-1-amine
CID 5372620
N-(3-bromopropyl)-2-ethylbutan-1-imine
CID 134884116
3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine
CID 89312014
N-butyl-2-ethyl-3-methylbutan-1-imine
CID 167084684
ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide
CID 142912446

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine?
The IUPAC name of 2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine (CID 102382107) is 2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine.
What is the SMILES notation for 2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine?
The canonical SMILES for 2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine is CC(C)/C=N/CCN(CC/N=C/C(C)C)CC/N=C/C(C)C.
What is the InChIKey of 2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine?
The InChIKey is KOVIEQQJDLLRJK-KXVWNZKWSA-N. The full InChI is InChI=1S/C18H36N4/c1-16(2)13-19-7-10-22(11-8-20-14-17(3)4)12-9-21-15-18(5)6/h13-18H,7-12H2,1-6H3/b19-13+,20-14+,21-15+.
What are the key properties of 2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine?
2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine has a molecular weight of 308.51 g/mol, XLogP of 3.47, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine is sourced from PubChem (CID 102382107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).