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

C20H40N2 — CID 144654738

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.CC
InChIInChI=1S/C16H28N2.2C2H6/c1-6-8-16(17-7-2)14(4)18(5)15-11-9-13(3)10-12-15;2*1-2/h6-8,13-15H,2,9-12H2,1,3-5H3;2*1-2H3/b8-6-,17-16+;;
InChIKeyUATMDYJEIVLSBX-DXNGUAPTSA-N
MW308.55 g/mol
LogP6.10
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 144654738) has the molecular formula C20H40N2 and a molecular weight of 308.55 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 CID144654738
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
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.CC
InChIInChI=1S/C16H28N2.2C2H6/c1-6-8-16(17-7-2)14(4)18(5)15-11-9-13(3)10-12-15;2*1-2/h6-8,13-15H,2,9-12H2,1,3-5H3;2*1-2H3/b8-6-,17-16+;;
InChIKeyUATMDYJEIVLSBX-DXNGUAPTSA-N
XLogP6.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

(7Z)-1-(2-cyclohexylethyl)-4-methyl-6-(3,3,3-trifluoropropyl)-1,5-diazacycloundeca-5,7-diene
CID 155347360
N,N-diethyl-4-[6-[1-(4-heptylcyclohex-2-en-1-yl)ethylimino]-3-methylcyclohex-2-en-1-yl]but-1-en-2-amine
CID 91131011
N-(1-cyclohexylethyl)-N,2,12-trimethyl-3-azabicyclo[5.5.0]dodeca-1(7),2,9-trien-12-amine
CID 91289694
N-(4H-azepin-7-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 123814136
N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine
CID 129034333
(2Z)-3-[[[(E)-1-ethenylimino-3-methylhept-2-en-4-ylidene]amino]methyl]-2-ethylidene-N-hexan-2-yl-N-methylpentan-1-amine
CID 130255596
N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine
CID 130459547
2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine
CID 142102799
N-ethenyl-N-[(2Z)-6-(4-methylpent-3-en-2-ylideneamino)hepta-2,6-dien-3-yl]cyclohexanamine
CID 144092646
N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane
CID 144654671
ethane;4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
CID 144654681
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654692

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 144654738) 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.CC.
What is the InChIKey of ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is UATMDYJEIVLSBX-DXNGUAPTSA-N. The full InChI is InChI=1S/C16H28N2.2C2H6/c1-6-8-16(17-7-2)14(4)18(5)15-11-9-13(3)10-12-15;2*1-2/h6-8,13-15H,2,9-12H2,1,3-5H3;2*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 308.55 g/mol, XLogP of 6.10, 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 144654738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).