2-methyl-N,N-dipropylbutan-1-amine

C11H25N — CID 20603381

IUPAC2-methyl-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CC(C)CC
InChIInChI=1S/C11H25N/c1-5-8-12(9-6-2)10-11(4)7-3/h11H,5-10H2,1-4H3
InChIKeyFSPARYHZPGNLCV-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds7

About 2-methyl-N,N-dipropylbutan-1-amine

2-methyl-N,N-dipropylbutan-1-amine (PubChem CID 20603381) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2-methyl-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-N,N-dipropylbutan-1-amine
PubChem CID20603381
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2-methyl-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CC(C)CC
InChIInChI=1S/C11H25N/c1-5-8-12(9-6-2)10-11(4)7-3/h11H,5-10H2,1-4H3
InChIKeyFSPARYHZPGNLCV-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-dipropylbutan-1-amine?
The IUPAC name of 2-methyl-N,N-dipropylbutan-1-amine (CID 20603381) is 2-methyl-N,N-dipropylbutan-1-amine.
What is the SMILES notation for 2-methyl-N,N-dipropylbutan-1-amine?
The canonical SMILES for 2-methyl-N,N-dipropylbutan-1-amine is CCCN(CCC)CC(C)CC.
What is the InChIKey of 2-methyl-N,N-dipropylbutan-1-amine?
The InChIKey is FSPARYHZPGNLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-8-12(9-6-2)10-11(4)7-3/h11H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N,N-dipropylbutan-1-amine?
2-methyl-N,N-dipropylbutan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 20603381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).