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

C8H19N — CID 30315

IUPACN-(2-methylpropyl)butan-1-amine
SMILESCCCCNCC(C)C
InChIInChI=1S/C8H19N/c1-4-5-6-9-7-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyCCRUHKGZAQXBKC-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds5

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

N-(2-methylpropyl)butan-1-amine (PubChem CID 30315) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)butan-1-amine
PubChem CID30315
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC NameN-(2-methylpropyl)butan-1-amine
SMILESCCCCNCC(C)C
InChIInChI=1S/C8H19N/c1-4-5-6-9-7-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyCCRUHKGZAQXBKC-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
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 N-(2-methylpropyl)butan-1-amine?
The IUPAC name of N-(2-methylpropyl)butan-1-amine (CID 30315) is N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)butan-1-amine is CCCCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)butan-1-amine?
The InChIKey is CCRUHKGZAQXBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-4-5-6-9-7-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(2-methylpropyl)butan-1-amine?
N-(2-methylpropyl)butan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 30315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).