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

C21H42N2 — CID 144735001

IUPACethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESC=C/N=C(\C=C/C)C(C)N(C)C1CCC(CC)CC1.CC.CC
InChIInChI=1S/C17H30N2.2C2H6/c1-6-9-17(18-8-3)14(4)19(5)16-12-10-15(7-2)11-13-16;2*1-2/h6,8-9,14-16H,3,7,10-13H2,1-2,4-5H3;2*1-2H3/b9-6-,18-17+;;
InChIKeyYFBQXMWKAVPEGC-VMZXHOGFSA-N
MW322.58 g/mol
LogP6.49
Rot. Bonds6

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

ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 144735001) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID144735001
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Nameethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESC=C/N=C(\C=C/C)C(C)N(C)C1CCC(CC)CC1.CC.CC
InChIInChI=1S/C17H30N2.2C2H6/c1-6-9-17(18-8-3)14(4)19(5)16-12-10-15(7-2)11-13-16;2*1-2/h6,8-9,14-16H,3,7,10-13H2,1-2,4-5H3;2*1-2H3/b9-6-,18-17+;;
InChIKeyYFBQXMWKAVPEGC-VMZXHOGFSA-N
XLogP6.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 56.49
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]-4-ethyl-N-methylcyclohexan-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
(7Z)-1-(2-cyclohexylethyl)-4-methylidene-6-(3,3,3-trifluoropropyl)-1,5-diazacycloundeca-5,7-diene
CID 155347370
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
N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine
CID 130459547
N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine
CID 135234115
N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine
CID 141165638
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)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654738

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine (CID 144735001) is ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine is C=C/N=C(\C=C/C)C(C)N(C)C1CCC(CC)CC1.CC.CC.
What is the InChIKey of ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is YFBQXMWKAVPEGC-VMZXHOGFSA-N. The full InChI is InChI=1S/C17H30N2.2C2H6/c1-6-9-17(18-8-3)14(4)19(5)16-12-10-15(7-2)11-13-16;2*1-2/h6,8-9,14-16H,3,7,10-13H2,1-2,4-5H3;2*1-2H3/b9-6-,18-17+;;.
What are the key properties of ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine?
ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 322.58 g/mol, XLogP of 6.49, 6 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]-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 144735001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).