3-methyl-N-(2-methylpropyl)butan-1-amine

C9H21N — CID 527115

IUPAC3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CCNCC(C)C
InChIInChI=1S/C9H21N/c1-8(2)5-6-10-7-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyGWMSJUSASQVTDR-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.28
Rot. Bonds5

About 3-methyl-N-(2-methylpropyl)butan-1-amine

3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 527115) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID527115
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CCNCC(C)C
InChIInChI=1S/C9H21N/c1-8(2)5-6-10-7-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyGWMSJUSASQVTDR-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.28
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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Related Compounds

Dibutylamine
CID 8148
Diisobutylamine
CID 8085
Diisoamylamine
CID 10988
Dibutylamine hydrochloride
CID 3083954
2-Butanamine, N-ethyl-3-methyl-
CID 102873
(2-Methylpropyl)(propyl)amine
CID 520943
N-Propylbutylamine
CID 88399
Diisobutylamine Hydrochloride
CID 519535
N,3-Dimethyl-1-butanamine
CID 521020
N-ethyl-N'-[4-(ethylamino)butyl]butane-1,4-diamine
CID 9834367
N'-[4-(propylamino)butyl]butane-1,4-diamine
CID 9920671
N1-Methyl-N4-(4-(methylamino)butyl)butane-1,4-diamine
CID 9964296

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)butan-1-amine (CID 527115) is 3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CCNCC(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is GWMSJUSASQVTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-8(2)5-6-10-7-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)butan-1-amine?
3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 527115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).