N-butan-2-yl-3-methylbutan-1-amine

C9H21N — CID 43177317

IUPACN-butan-2-yl-3-methylbutan-1-amine
SMILESCCC(C)NCCC(C)C
InChIInChI=1S/C9H21N/c1-5-9(4)10-7-6-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyPFDTWLLGYOYGSV-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds5

About N-butan-2-yl-3-methylbutan-1-amine

N-butan-2-yl-3-methylbutan-1-amine (PubChem CID 43177317) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N-butan-2-yl-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-methylbutan-1-amine
PubChem CID43177317
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN-butan-2-yl-3-methylbutan-1-amine
SMILESCCC(C)NCCC(C)C
InChIInChI=1S/C9H21N/c1-5-9(4)10-7-6-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyPFDTWLLGYOYGSV-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methylbutan-1-amine?
The IUPAC name of N-butan-2-yl-3-methylbutan-1-amine (CID 43177317) is N-butan-2-yl-3-methylbutan-1-amine.
What is the SMILES notation for N-butan-2-yl-3-methylbutan-1-amine?
The canonical SMILES for N-butan-2-yl-3-methylbutan-1-amine is CCC(C)NCCC(C)C.
What is the InChIKey of N-butan-2-yl-3-methylbutan-1-amine?
The InChIKey is PFDTWLLGYOYGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-5-9(4)10-7-6-8(2)3/h8-10H,5-7H2,1-4H3.
What are the key properties of N-butan-2-yl-3-methylbutan-1-amine?
N-butan-2-yl-3-methylbutan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methylbutan-1-amine is sourced from PubChem (CID 43177317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).