(2S)-2-methyl-N,N-dipropylbutan-1-amine

C11H25N — CID 59111738

IUPAC(2S)-2-methyl-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)C[C@@H](C)CC
InChIInChI=1S/C11H25N/c1-5-8-12(9-6-2)10-11(4)7-3/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyFSPARYHZPGNLCV-NSHDSACASA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds7

About (2S)-2-methyl-N,N-dipropylbutan-1-amine

(2S)-2-methyl-N,N-dipropylbutan-1-amine (PubChem CID 59111738) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (2S)-2-methyl-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name(2S)-2-methyl-N,N-dipropylbutan-1-amine
PubChem CID59111738
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(2S)-2-methyl-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)C[C@@H](C)CC
InChIInChI=1S/C11H25N/c1-5-8-12(9-6-2)10-11(4)7-3/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyFSPARYHZPGNLCV-NSHDSACASA-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 (2S)-2-methyl-N,N-dipropylbutan-1-amine?
The IUPAC name of (2S)-2-methyl-N,N-dipropylbutan-1-amine (CID 59111738) is (2S)-2-methyl-N,N-dipropylbutan-1-amine.
What is the SMILES notation for (2S)-2-methyl-N,N-dipropylbutan-1-amine?
The canonical SMILES for (2S)-2-methyl-N,N-dipropylbutan-1-amine is CCCN(CCC)C[C@@H](C)CC.
What is the InChIKey of (2S)-2-methyl-N,N-dipropylbutan-1-amine?
The InChIKey is FSPARYHZPGNLCV-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-N,N-dipropylbutan-1-amine?
(2S)-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 (2S)-2-methyl-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 59111738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).