ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine

C20H38N2 — CID 177055367

IUPACethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine
SMILESC=C(C)CN(C/C=C(/CC)N=C(C)C)C1CCCCC1.CC
InChIInChI=1S/C18H32N2.C2H6/c1-6-17(19-16(4)5)12-13-20(14-15(2)3)18-10-8-7-9-11-18;1-2/h12,18H,2,6-11,13-14H2,1,3-5H3;1-2H3/b17-12-;
InChIKeyJVXHWVCMTJWWBD-HBPAQXCTSA-N
MW306.54 g/mol
LogP6.00
Rot. Bonds7

About ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine

ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine (PubChem CID 177055367) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine.

Molecular Properties

Compound Nameethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine
PubChem CID177055367
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Nameethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine
SMILESC=C(C)CN(C/C=C(/CC)N=C(C)C)C1CCCCC1.CC
InChIInChI=1S/C18H32N2.C2H6/c1-6-17(19-16(4)5)12-13-20(14-15(2)3)18-10-8-7-9-11-18;1-2/h12,18H,2,6-11,13-14H2,1,3-5H3;1-2H3/b17-12-;
InChIKeyJVXHWVCMTJWWBD-HBPAQXCTSA-N
XLogP6.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine with MolForge

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Related Compounds

ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378329
N-ethenyl-N-[(2Z)-6-(4-methylpent-3-en-2-ylideneamino)hepta-2,6-dien-3-yl]cyclohexanamine
CID 144092646
(Z)-8-ethenylimino-N-[(2E)-2-ethylidene-3-methylidenepentyl]-N-[(3E)-5-methylhexa-1,3-dien-3-yl]non-6-en-2-amine
CID 156487774
(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-[(Z)-2-[(Z)-2-(ethylideneamino)ethenyl]pent-2-enyl]-N-methylcyclohexan-1-amine
CID 173795817
Cyclohexyl-[4-[cyclohexyl(propan-2-yl)amino]pent-3-en-2-ylidene]-methylazanium
CID 174071485
ethane;N-[(2S)-pentan-2-yl]-N-[(3Z)-4-(propan-2-ylideneamino)hexa-1,3-dien-2-yl]cyclohexanamine
CID 177055260
N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378330
(2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine
CID 143467546
1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-prop-1-en-2-ylethanimine
CID 156713260
N-[(2S)-pentan-2-yl]-N-[(3Z)-4-(propan-2-ylideneamino)hexa-1,3-dien-2-yl]cyclohexanamine
CID 177055261
N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine
CID 177055368

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine?
The IUPAC name of ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine (CID 177055367) is ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine.
What is the SMILES notation for ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine?
The canonical SMILES for ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine is C=C(C)CN(C/C=C(/CC)N=C(C)C)C1CCCCC1.CC.
What is the InChIKey of ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine?
The InChIKey is JVXHWVCMTJWWBD-HBPAQXCTSA-N. The full InChI is InChI=1S/C18H32N2.C2H6/c1-6-17(19-16(4)5)12-13-20(14-15(2)3)18-10-8-7-9-11-18;1-2/h12,18H,2,6-11,13-14H2,1,3-5H3;1-2H3/b17-12-;.
What are the key properties of ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine?
ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine has a molecular weight of 306.54 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine is sourced from PubChem (CID 177055367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).