N-butan-2-ylpentan-1-amine

C9H21N — CID 14123011

IUPACN-butan-2-ylpentan-1-amine
SMILESCCCCCNC(C)CC
InChIInChI=1S/C9H21N/c1-4-6-7-8-10-9(3)5-2/h9-10H,4-8H2,1-3H3
InChIKeyCWPZHQHSRJKFMS-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.56
Rot. Bonds6

About N-butan-2-ylpentan-1-amine

N-butan-2-ylpentan-1-amine (PubChem CID 14123011) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N-butan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-butan-2-ylpentan-1-amine
PubChem CID14123011
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN-butan-2-ylpentan-1-amine
SMILESCCCCCNC(C)CC
InChIInChI=1S/C9H21N/c1-4-6-7-8-10-9(3)5-2/h9-10H,4-8H2,1-3H3
InChIKeyCWPZHQHSRJKFMS-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.56
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-ylpentan-1-amine?
The IUPAC name of N-butan-2-ylpentan-1-amine (CID 14123011) is N-butan-2-ylpentan-1-amine.
What is the SMILES notation for N-butan-2-ylpentan-1-amine?
The canonical SMILES for N-butan-2-ylpentan-1-amine is CCCCCNC(C)CC.
What is the InChIKey of N-butan-2-ylpentan-1-amine?
The InChIKey is CWPZHQHSRJKFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-4-6-7-8-10-9(3)5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of N-butan-2-ylpentan-1-amine?
N-butan-2-ylpentan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylpentan-1-amine is sourced from PubChem (CID 14123011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).