N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine

C15H31N — CID 64734397

IUPACN-heptan-3-yl-3,5-dimethylcyclohexan-1-amine
SMILESCCCCC(CC)NC1CC(C)CC(C)C1
InChIInChI=1S/C15H31N/c1-5-7-8-14(6-2)16-15-10-12(3)9-13(4)11-15/h12-16H,5-11H2,1-4H3
InChIKeyJLXSZIOPHTXSPG-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds6

About N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine

N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64734397) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-heptan-3-yl-3,5-dimethylcyclohexan-1-amine
PubChem CID64734397
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-heptan-3-yl-3,5-dimethylcyclohexan-1-amine
SMILESCCCCC(CC)NC1CC(C)CC(C)C1
InChIInChI=1S/C15H31N/c1-5-7-8-14(6-2)16-15-10-12(3)9-13(4)11-15/h12-16H,5-11H2,1-4H3
InChIKeyJLXSZIOPHTXSPG-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine (CID 64734397) is N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine is CCCCC(CC)NC1CC(C)CC(C)C1.
What is the InChIKey of N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is JLXSZIOPHTXSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-7-8-14(6-2)16-15-10-12(3)9-13(4)11-15/h12-16H,5-11H2,1-4H3.
What are the key properties of N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine?
N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64734397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).