3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine

C14H24N2 — CID 134564048

IUPAC3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine
SMILESCC1CCC(=CC1)NC2CCC(C(=N)C2)C
InChIInChI=1S/C14H24N2/c1-10-3-6-12(7-4-10)16-13-8-5-11(2)14(15)9-13/h6,10-11,13,15-16H,3-5,7-9H2,1-2H3
InChIKeyIUVDOEMJFSWNBJ-UHFFFAOYSA-N
MW220.35 g/mol
LogP3.10
Rot. Bonds2

About 3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine

3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine (PubChem CID 134564048) has the molecular formula C14H24N2 and a molecular weight of 220.35 g/mol. Its IUPAC name is 3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine
PubChem CID134564048
Molecular FormulaC14H24N2
Molecular Weight220.35 g/mol
Exact Mass220.19
IUPAC Name3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine
SMILESCC1CCC(=CC1)NC2CCC(C(=N)C2)C
InChIInChI=1S/C14H24N2/c1-10-3-6-12(7-4-10)16-13-8-5-11(2)14(15)9-13/h6,10-11,13,15-16H,3-5,7-9H2,1-2H3
InChIKeyIUVDOEMJFSWNBJ-UHFFFAOYSA-N
XLogP3.10
TPSA35.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity293

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine?
The IUPAC name of 3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine (CID 134564048) is 3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine?
The canonical SMILES for 3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine is CC1CCC(=CC1)NC2CCC(C(=N)C2)C.
What is the InChIKey of 3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine?
The InChIKey is IUVDOEMJFSWNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10-3-6-12(7-4-10)16-13-8-5-11(2)14(15)9-13/h6,10-11,13,15-16H,3-5,7-9H2,1-2H3.
What are the key properties of 3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine?
3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine has a molecular weight of 220.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 134564048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).