2-methyl-N-(2-methylbutyl)pentan-3-amine

C11H25N — CID 61468909

IUPAC2-methyl-N-(2-methylbutyl)pentan-3-amine
SMILESCCC(C)CNC(CC)C(C)C
InChIInChI=1S/C11H25N/c1-6-10(5)8-12-11(7-2)9(3)4/h9-12H,6-8H2,1-5H3
InChIKeyPVGUMLGJFDABEL-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds6

About 2-methyl-N-(2-methylbutyl)pentan-3-amine

2-methyl-N-(2-methylbutyl)pentan-3-amine (PubChem CID 61468909) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbutyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylbutyl)pentan-3-amine
PubChem CID61468909
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2-methyl-N-(2-methylbutyl)pentan-3-amine
SMILESCCC(C)CNC(CC)C(C)C
InChIInChI=1S/C11H25N/c1-6-10(5)8-12-11(7-2)9(3)4/h9-12H,6-8H2,1-5H3
InChIKeyPVGUMLGJFDABEL-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylbutyl)pentan-3-amine?
The IUPAC name of 2-methyl-N-(2-methylbutyl)pentan-3-amine (CID 61468909) is 2-methyl-N-(2-methylbutyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methylbutyl)pentan-3-amine?
The canonical SMILES for 2-methyl-N-(2-methylbutyl)pentan-3-amine is CCC(C)CNC(CC)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylbutyl)pentan-3-amine?
The InChIKey is PVGUMLGJFDABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-10(5)8-12-11(7-2)9(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 2-methyl-N-(2-methylbutyl)pentan-3-amine?
2-methyl-N-(2-methylbutyl)pentan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylbutyl)pentan-3-amine is sourced from PubChem (CID 61468909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).