ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene

C19H38N2 — CID 143013179

IUPACethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene
SMILESC=C(C)NC1/C(=C\C)CCCC1C.C=CC.CC.[H]/N=C/C
InChIInChI=1S/C12H21N.C3H6.C2H5N.C2H6/c1-5-11-8-6-7-10(4)12(11)13-9(2)3;1-3-2;1-2-3;1-2/h5,10,12-13H,2,6-8H2,1,3-4H3;3H,1H2,2H3;2-3H,1H3;1-2H3/b11-5-;;3-2+;
InChIKeyDBQAINHTIITYKV-HINOTRJVSA-N
MW294.53 g/mol
LogP6.12
Rot. Bonds2

About ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene

ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene (PubChem CID 143013179) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene.

Molecular Properties

Compound Nameethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene
PubChem CID143013179
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Nameethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene
SMILESC=C(C)NC1/C(=C\C)CCCC1C.C=CC.CC.[H]/N=C/C
InChIInChI=1S/C12H21N.C3H6.C2H5N.C2H6/c1-5-11-8-6-7-10(4)12(11)13-9(2)3;1-3-2;1-2-3;1-2/h5,10,12-13H,2,6-8H2,1,3-4H3;3H,1H2,2H3;2-3H,1H3;1-2H3/b11-5-;;3-2+;
InChIKeyDBQAINHTIITYKV-HINOTRJVSA-N
XLogP6.12
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 56.12
H-Bond Donors ≤ 52
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;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene with MolForge

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Launch Full Analysis

Related Compounds

4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine
CID 89209337
3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine
CID 89395409
(2E)-2-(ethylideneamino)-N,5-dimethylnona-2,8-dien-4-amine
CID 89503467
N-[[(4R)-4-[[[(2E,4Z)-hepta-2,4,6-trien-2-yl]amino]methyl]cyclohexen-1-yl]methyl]cyclohex-3-en-1-amine
CID 89569147
N-[2-(2,6-dimethylcyclohexen-1-yl)iminoethyl]-2,6-dimethylcyclohexan-1-amine
CID 90721381
(E,3S)-N-heptadec-1-en-2-yl-4-methanimidoylnonadec-5-en-3-amine
CID 129028072
N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine
CID 134250067
(6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine
CID 134402483
N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine
CID 135234115
4-[(E,2E)-4-[butyl(ethyl)amino]-2-(2H-pyrazin-3-ylidene)hex-3-enyl]-N-propan-2-ylcyclohexan-1-amine
CID 139420006
ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane
CID 143525081
4-butyl-N-[(3Z)-hexa-3,5-dienyl]cyclohexan-1-amine;ethane;N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
CID 143683651

Frequently Asked Questions

What is the IUPAC name of ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene?
The IUPAC name of ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene (CID 143013179) is ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene.
What is the SMILES notation for ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene?
The canonical SMILES for ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene is C=C(C)NC1/C(=C\C)CCCC1C.C=CC.CC.[H]/N=C/C.
What is the InChIKey of ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene?
The InChIKey is DBQAINHTIITYKV-HINOTRJVSA-N. The full InChI is InChI=1S/C12H21N.C3H6.C2H5N.C2H6/c1-5-11-8-6-7-10(4)12(11)13-9(2)3;1-3-2;1-2-3;1-2/h5,10,12-13H,2,6-8H2,1,3-4H3;3H,1H2,2H3;2-3H,1H3;1-2H3/b11-5-;;3-2+;.
What are the key properties of ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene?
ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene has a molecular weight of 294.53 g/mol, XLogP of 6.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene is sourced from PubChem (CID 143013179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).