3-methyl-N-(3-methylbutyl)butan-1-amine

C10H23N — CID 10988

IUPAC3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCC(C)CCNCCC(C)C
InChIInChI=1S/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeySPVVMXMTSODFPU-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.67
Rot. Bonds6

About 3-methyl-N-(3-methylbutyl)butan-1-amine

3-methyl-N-(3-methylbutyl)butan-1-amine (PubChem CID 10988) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)butan-1-amine
PubChem CID10988
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCC(C)CCNCCC(C)C
InChIInChI=1S/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeySPVVMXMTSODFPU-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(3-methylbutyl)butan-1-amine (CID 10988) is 3-methyl-N-(3-methylbutyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)butan-1-amine is CC(C)CCNCCC(C)C.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)butan-1-amine?
The InChIKey is SPVVMXMTSODFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-methyl-N-(3-methylbutyl)butan-1-amine?
3-methyl-N-(3-methylbutyl)butan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)butan-1-amine is sourced from PubChem (CID 10988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).