N-butyl-N-methylbutan-1-amine

C9H21N — CID 18855

IUPACN-butyl-N-methylbutan-1-amine
SMILESCCCCN(C)CCCC
InChIInChI=1S/C9H21N/c1-4-6-8-10(3)9-7-5-2/h4-9H2,1-3H3
InChIKeyMTHFROHDIWGWFD-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.52
Rot. Bonds6

About N-butyl-N-methylbutan-1-amine

N-butyl-N-methylbutan-1-amine (PubChem CID 18855) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N-butyl-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-methylbutan-1-amine
PubChem CID18855
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN-butyl-N-methylbutan-1-amine
SMILESCCCCN(C)CCCC
InChIInChI=1S/C9H21N/c1-4-6-8-10(3)9-7-5-2/h4-9H2,1-3H3
InChIKeyMTHFROHDIWGWFD-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylbutan-1-amine?
The IUPAC name of N-butyl-N-methylbutan-1-amine (CID 18855) is N-butyl-N-methylbutan-1-amine.
What is the SMILES notation for N-butyl-N-methylbutan-1-amine?
The canonical SMILES for N-butyl-N-methylbutan-1-amine is CCCCN(C)CCCC.
What is the InChIKey of N-butyl-N-methylbutan-1-amine?
The InChIKey is MTHFROHDIWGWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-4-6-8-10(3)9-7-5-2/h4-9H2,1-3H3.
What are the key properties of N-butyl-N-methylbutan-1-amine?
N-butyl-N-methylbutan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylbutan-1-amine is sourced from PubChem (CID 18855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).