(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine

C19H28N2 — CID 123666967

IUPAC(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine
SMILES[H]/N=C1\CCCCC1C(N)C1=CC=C(C2CC=CCC2)CC1
InChIInChI=1S/C19H28N2/c20-18-9-5-4-8-17(18)19(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-2,10,12,14,17,19-20H,3-9,11,13,21H2/b20-18+
InChIKeyXPFWLNDBSBOACL-CZIZESTLSA-N
MW284.45 g/mol
LogP4.53
Rot. Bonds3

About (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine

(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine (PubChem CID 123666967) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine.

Molecular Properties

Compound Name(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine
PubChem CID123666967
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine
SMILES[H]/N=C1\CCCCC1C(N)C1=CC=C(C2CC=CCC2)CC1
InChIInChI=1S/C19H28N2/c20-18-9-5-4-8-17(18)19(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-2,10,12,14,17,19-20H,3-9,11,13,21H2/b20-18+
InChIKeyXPFWLNDBSBOACL-CZIZESTLSA-N
XLogP4.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.53
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 (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine with MolForge

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Related Compounds

2,3,4,4a,5,6-hexahydro-1H-carbazol-3-amine
CID 69862123
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
6-Imino-5-methyl-2-(13-methyl-2,3,6,6a-tetrahydropentacen-6-yl)cyclohexa-2,4-dien-1-amine
CID 89331818
6-(Cyclohexen-1-yl)cyclohexa-2,4-dien-1-amine
CID 89395478
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
6-[4-[4-(Cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine
CID 91081611
3-(Cycloundecen-1-yl)-2-iminocycloundecan-1-amine
CID 91393172
(6R)-6-[(3E,5Z)-7-[(1R)-5-[(1S)-4-[(1S)-4-(5-aminopentyl)cyclohex-2-en-1-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-7-iminohepta-1,3,5-trien-2-yl]cyclohexa-2,4-dien-1-amine
CID 117907386
(6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine
CID 122664605
5-(6-Imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine
CID 123137693

Frequently Asked Questions

What is the IUPAC name of (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine?
The IUPAC name of (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine (CID 123666967) is (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine.
What is the SMILES notation for (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine?
The canonical SMILES for (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine is [H]/N=C1\CCCCC1C(N)C1=CC=C(C2CC=CCC2)CC1.
What is the InChIKey of (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine?
The InChIKey is XPFWLNDBSBOACL-CZIZESTLSA-N. The full InChI is InChI=1S/C19H28N2/c20-18-9-5-4-8-17(18)19(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-2,10,12,14,17,19-20H,3-9,11,13,21H2/b20-18+.
What are the key properties of (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine?
(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine has a molecular weight of 284.45 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine is sourced from PubChem (CID 123666967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).