[2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine

C19H32N2 — CID 143606113

IUPAC[2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine
SMILESC/C=C\C=C/C(C)CC/C(=N\CC)C1=C(CN)CCCC1
InChIInChI=1S/C19H32N2/c1-4-6-7-10-16(3)13-14-19(21-5-2)18-12-9-8-11-17(18)15-20/h4,6-7,10,16H,5,8-9,11-15,20H2,1-3H3/b6-4-,10-7-,21-19+
InChIKeyPZPMDNCWXRWZJX-CQYBRVDPSA-N
MW288.48 g/mol
LogP4.83
Rot. Bonds8

About [2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine

[2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine (PubChem CID 143606113) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is [2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine.

Molecular Properties

Compound Name[2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine
PubChem CID143606113
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name[2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine
SMILESC/C=C\C=C/C(C)CC/C(=N\CC)C1=C(CN)CCCC1
InChIInChI=1S/C19H32N2/c1-4-6-7-10-16(3)13-14-19(21-5-2)18-12-9-8-11-17(18)15-20/h4,6-7,10,16H,5,8-9,11-15,20H2,1-3H3/b6-4-,10-7-,21-19+
InChIKeyPZPMDNCWXRWZJX-CQYBRVDPSA-N
XLogP4.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 6445873
CID 6445873
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine
CID 57009148
6-(6-Butyliminocyclohexen-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine
CID 67174652
3-Cyclohexa-1,5-dien-1-yl-1-(5-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)-3-iminopropan-1-amine
CID 88580795
(9Z)-3-ethyl-4-imino-9-[3-(4-oct-1-en-3-yl-2,3-dihydronaphthalen-1-yl)propyl]dodeca-9,11-dien-1-amine
CID 88933574
(9E)-4-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-2-methyl-11-methylimino-8-[(Z)-prop-1-enyl]dodeca-1,9-dien-6-amine
CID 88992140
3-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]-3-iminopropan-1-amine
CID 89546309
1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole
CID 91131930
1-Methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine
CID 91269631
1-Cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine
CID 91473783
(5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine
CID 91475179

Frequently Asked Questions

What is the IUPAC name of [2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine?
The IUPAC name of [2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine (CID 143606113) is [2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine.
What is the SMILES notation for [2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine?
The canonical SMILES for [2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine is C/C=C\C=C/C(C)CC/C(=N\CC)C1=C(CN)CCCC1.
What is the InChIKey of [2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine?
The InChIKey is PZPMDNCWXRWZJX-CQYBRVDPSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-6-7-10-16(3)13-14-19(21-5-2)18-12-9-8-11-17(18)15-20/h4,6-7,10,16H,5,8-9,11-15,20H2,1-3H3/b6-4-,10-7-,21-19+.
What are the key properties of [2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine?
[2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine has a molecular weight of 288.48 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine is sourced from PubChem (CID 143606113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).