N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine

C17H30N2 — CID 130459822

IUPACN-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)C(C)N(C)C1CCC(C)CC1
InChIInChI=1S/C17H30N2/c1-6-8-16(13-18-7-2)15(4)19(5)17-11-9-14(3)10-12-17/h6-8,13-15,17H,9-12H2,1-5H3/b8-6-,16-13+,18-7+
InChIKeyCOXMJHIVNLGMIV-JNAWUKTFSA-N
MW262.44 g/mol
LogP4.44
Rot. Bonds5

About N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine

N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 130459822) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
PubChem CID130459822
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)C(C)N(C)C1CCC(C)CC1
InChIInChI=1S/C17H30N2/c1-6-8-16(13-18-7-2)15(4)19(5)17-11-9-14(3)10-12-17/h6-8,13-15,17H,9-12H2,1-5H3/b8-6-,16-13+,18-7+
InChIKeyCOXMJHIVNLGMIV-JNAWUKTFSA-N
XLogP4.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine (CID 130459822) is N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine is C/C=C\C(=C/N=C/C)C(C)N(C)C1CCC(C)CC1.
What is the InChIKey of N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is COXMJHIVNLGMIV-JNAWUKTFSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-8-16(13-18-7-2)15(4)19(5)17-11-9-14(3)10-12-17/h6-8,13-15,17H,9-12H2,1-5H3/b8-6-,16-13+,18-7+.
What are the key properties of N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 130459822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).