6-methyl-N-(3-methylbutyl)heptan-2-amine

C13H29N — CID 10406

IUPAC6-methyl-N-(3-methylbutyl)heptan-2-amine
SMILESCC(C)CCCC(C)NCCC(C)C
InChIInChI=1S/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyRRWTWWBIHKIYTH-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds8

About 6-methyl-N-(3-methylbutyl)heptan-2-amine

6-methyl-N-(3-methylbutyl)heptan-2-amine (PubChem CID 10406) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 6-methyl-N-(3-methylbutyl)heptan-2-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methylbutyl)heptan-2-amine
PubChem CID10406
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name6-methyl-N-(3-methylbutyl)heptan-2-amine
SMILESCC(C)CCCC(C)NCCC(C)C
InChIInChI=1S/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyRRWTWWBIHKIYTH-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylbutyl)heptan-2-amine?
The IUPAC name of 6-methyl-N-(3-methylbutyl)heptan-2-amine (CID 10406) is 6-methyl-N-(3-methylbutyl)heptan-2-amine.
What is the SMILES notation for 6-methyl-N-(3-methylbutyl)heptan-2-amine?
The canonical SMILES for 6-methyl-N-(3-methylbutyl)heptan-2-amine is CC(C)CCCC(C)NCCC(C)C.
What is the InChIKey of 6-methyl-N-(3-methylbutyl)heptan-2-amine?
The InChIKey is RRWTWWBIHKIYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of 6-methyl-N-(3-methylbutyl)heptan-2-amine?
6-methyl-N-(3-methylbutyl)heptan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylbutyl)heptan-2-amine is sourced from PubChem (CID 10406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).