2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine

C18H30N2 — CID 143571372

IUPAC2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine
SMILESC=C/C=C(/C=C/C1(N)CCCC(CC)C1CC)\N=C\C
InChIInChI=1S/C18H30N2/c1-5-10-16(20-8-4)12-14-18(19)13-9-11-15(6-2)17(18)7-3/h5,8,10,12,14-15,17H,1,6-7,9,11,13,19H2,2-4H3/b14-12+,16-10-,20-8+
InChIKeyVDAOLAQDAITLTR-RBBNHTMFSA-N
MW274.45 g/mol
LogP4.64
Rot. Bonds6

About 2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine

2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine (PubChem CID 143571372) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine
PubChem CID143571372
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine
SMILESC=C/C=C(/C=C/C1(N)CCCC(CC)C1CC)\N=C\C
InChIInChI=1S/C18H30N2/c1-5-10-16(20-8-4)12-14-18(19)13-9-11-15(6-2)17(18)7-3/h5,8,10,12,14-15,17H,1,6-7,9,11,13,19H2,2-4H3/b14-12+,16-10-,20-8+
InChIKeyVDAOLAQDAITLTR-RBBNHTMFSA-N
XLogP4.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine
CID 143682311

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine?
The IUPAC name of 2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine (CID 143571372) is 2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine?
The canonical SMILES for 2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine is C=C/C=C(/C=C/C1(N)CCCC(CC)C1CC)\N=C\C.
What is the InChIKey of 2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine?
The InChIKey is VDAOLAQDAITLTR-RBBNHTMFSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-10-16(20-8-4)12-14-18(19)13-9-11-15(6-2)17(18)7-3/h5,8,10,12,14-15,17H,1,6-7,9,11,13,19H2,2-4H3/b14-12+,16-10-,20-8+.
What are the key properties of 2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine?
2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine is sourced from PubChem (CID 143571372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).