N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine

C17H31N — CID 54444504

IUPACN-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine
SMILESCC(C)=CCCC(C)=CCNC1(C)CCCCC1
InChIInChI=1S/C17H31N/c1-15(2)9-8-10-16(3)11-14-18-17(4)12-6-5-7-13-17/h9,11,18H,5-8,10,12-14H2,1-4H3
InChIKeyWQNVEUDOSJUDIE-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.99
Rot. Bonds6

About N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine

N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine (PubChem CID 54444504) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine
PubChem CID54444504
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine
SMILESCC(C)=CCCC(C)=CCNC1(C)CCCCC1
InChIInChI=1S/C17H31N/c1-15(2)9-8-10-16(3)11-14-18-17(4)12-6-5-7-13-17/h9,11,18H,5-8,10,12-14H2,1-4H3
InChIKeyWQNVEUDOSJUDIE-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine (CID 54444504) is N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine is CC(C)=CCCC(C)=CCNC1(C)CCCCC1.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine?
The InChIKey is WQNVEUDOSJUDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-15(2)9-8-10-16(3)11-14-18-17(4)12-6-5-7-13-17/h9,11,18H,5-8,10,12-14H2,1-4H3.
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine?
N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienyl)-1-methylcyclohexan-1-amine is sourced from PubChem (CID 54444504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).