ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine

C18H34N2 — CID 144654877

IUPACethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC=C/N=C(\C=C/C)C(C)N(C)C1CCC(C)CC1.CC
InChIInChI=1S/C16H28N2.C2H6/c1-6-8-16(17-7-2)14(4)18(5)15-11-9-13(3)10-12-15;1-2/h6-8,13-15H,2,9-12H2,1,3-5H3;1-2H3/b8-6-,17-16+;
InChIKeyBKMDJVILFHBUHQ-RMUFZHRUSA-N
MW278.48 g/mol
LogP5.07
Rot. Bonds5

About ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine

ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 144654877) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
PubChem CID144654877
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Nameethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC=C/N=C(\C=C/C)C(C)N(C)C1CCC(C)CC1.CC
InChIInChI=1S/C16H28N2.C2H6/c1-6-8-16(17-7-2)14(4)18(5)15-11-9-13(3)10-12-15;1-2/h6-8,13-15H,2,9-12H2,1,3-5H3;1-2H3/b8-6-,17-16+;
InChIKeyBKMDJVILFHBUHQ-RMUFZHRUSA-N
XLogP5.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine (CID 144654877) is ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine is C=C/N=C(\C=C/C)C(C)N(C)C1CCC(C)CC1.CC.
What is the InChIKey of ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is BKMDJVILFHBUHQ-RMUFZHRUSA-N. The full InChI is InChI=1S/C16H28N2.C2H6/c1-6-8-16(17-7-2)14(4)18(5)15-11-9-13(3)10-12-15;1-2/h6-8,13-15H,2,9-12H2,1,3-5H3;1-2H3/b8-6-,17-16+;.
What are the key properties of ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 144654877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).