4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine

C15H31N — CID 65083653

IUPAC4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine
SMILESCCC(NC1CCCC(C)(C)CC1)C(C)C
InChIInChI=1S/C15H31N/c1-6-14(12(2)3)16-13-8-7-10-15(4,5)11-9-13/h12-14,16H,6-11H2,1-5H3
InChIKeyMNQGZTNTEHJBPB-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds4

About 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine

4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine (PubChem CID 65083653) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine
PubChem CID65083653
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine
SMILESCCC(NC1CCCC(C)(C)CC1)C(C)C
InChIInChI=1S/C15H31N/c1-6-14(12(2)3)16-13-8-7-10-15(4,5)11-9-13/h12-14,16H,6-11H2,1-5H3
InChIKeyMNQGZTNTEHJBPB-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine (CID 65083653) is 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine is CCC(NC1CCCC(C)(C)CC1)C(C)C.
What is the InChIKey of 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine?
The InChIKey is MNQGZTNTEHJBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-14(12(2)3)16-13-8-7-10-15(4,5)11-9-13/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine?
4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine is sourced from PubChem (CID 65083653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).