N-butan-2-ylbutan-1-amine

C8H19N — CID 4133797

IUPACN-butan-2-ylbutan-1-amine
SMILESCCCCNC(C)CC
InChIInChI=1S/C8H19N/c1-4-6-7-9-8(3)5-2/h8-9H,4-7H2,1-3H3
InChIKeyMWZXRLJDNKCYOQ-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.17
Rot. Bonds5

About N-butan-2-ylbutan-1-amine

N-butan-2-ylbutan-1-amine (PubChem CID 4133797) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is N-butan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-butan-2-ylbutan-1-amine
PubChem CID4133797
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC NameN-butan-2-ylbutan-1-amine
SMILESCCCCNC(C)CC
InChIInChI=1S/C8H19N/c1-4-6-7-9-8(3)5-2/h8-9H,4-7H2,1-3H3
InChIKeyMWZXRLJDNKCYOQ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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-butan-2-ylbutan-1-amine?
The IUPAC name of N-butan-2-ylbutan-1-amine (CID 4133797) is N-butan-2-ylbutan-1-amine.
What is the SMILES notation for N-butan-2-ylbutan-1-amine?
The canonical SMILES for N-butan-2-ylbutan-1-amine is CCCCNC(C)CC.
What is the InChIKey of N-butan-2-ylbutan-1-amine?
The InChIKey is MWZXRLJDNKCYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-4-6-7-9-8(3)5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of N-butan-2-ylbutan-1-amine?
N-butan-2-ylbutan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylbutan-1-amine is sourced from PubChem (CID 4133797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).