3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine

C18H31N3 — CID 89395409

IUPAC3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine
SMILES[H]/N=C/CC(CCN)NC1=C(C2CC=CCC2)CC(C)CC1
InChIInChI=1S/C18H31N3/c1-14-7-8-18(21-16(9-11-19)10-12-20)17(13-14)15-5-3-2-4-6-15/h2-3,11,14-16,19,21H,4-10,12-13,20H2,1H3/b19-11+
InChIKeyFKLJLXYQYMHTRS-YBFXNURJSA-N
MW289.47 g/mol
LogP3.76
Rot. Bonds7

About 3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine

3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine (PubChem CID 89395409) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine
PubChem CID89395409
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine
SMILES[H]/N=C/CC(CCN)NC1=C(C2CC=CCC2)CC(C)CC1
InChIInChI=1S/C18H31N3/c1-14-7-8-18(21-16(9-11-19)10-12-20)17(13-14)15-5-3-2-4-6-15/h2-3,11,14-16,19,21H,4-10,12-13,20H2,1H3/b19-11+
InChIKeyFKLJLXYQYMHTRS-YBFXNURJSA-N
XLogP3.76
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine?
The IUPAC name of 3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine (CID 89395409) is 3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine?
The canonical SMILES for 3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine is [H]/N=C/CC(CCN)NC1=C(C2CC=CCC2)CC(C)CC1.
What is the InChIKey of 3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine?
The InChIKey is FKLJLXYQYMHTRS-YBFXNURJSA-N. The full InChI is InChI=1S/C18H31N3/c1-14-7-8-18(21-16(9-11-19)10-12-20)17(13-14)15-5-3-2-4-6-15/h2-3,11,14-16,19,21H,4-10,12-13,20H2,1H3/b19-11+.
What are the key properties of 3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine?
3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine is sourced from PubChem (CID 89395409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).