(2S)-2-methyl-N-propylbutan-1-amine

C8H19N — CID 28608572

IUPAC(2S)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC[C@@H](C)CC
InChIInChI=1S/C8H19N/c1-4-6-9-7-8(3)5-2/h8-9H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyNEZXZJALWPRKGA-QMMMGPOBSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds5

About (2S)-2-methyl-N-propylbutan-1-amine

(2S)-2-methyl-N-propylbutan-1-amine (PubChem CID 28608572) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (2S)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name(2S)-2-methyl-N-propylbutan-1-amine
PubChem CID28608572
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(2S)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC[C@@H](C)CC
InChIInChI=1S/C8H19N/c1-4-6-9-7-8(3)5-2/h8-9H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyNEZXZJALWPRKGA-QMMMGPOBSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
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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Related Compounds

Dibutylamine
CID 8148
Diisobutylamine
CID 8085
Diisoamylamine
CID 10988
2-Butanamine, N-ethyl-3-methyl-
CID 102873
(2-Methylpropyl)(propyl)amine
CID 520943
N-Propylbutylamine
CID 88399
Dibutylamine hydrochloride
CID 3083954
Diisobutylamine Hydrochloride
CID 519535
N,3-Dimethyl-1-butanamine
CID 521020
N-ethyl-N'-[4-(ethylamino)butyl]butane-1,4-diamine
CID 9834367
N'-[4-(propylamino)butyl]butane-1,4-diamine
CID 9920671
N1-Methyl-N4-(4-(methylamino)butyl)butane-1,4-diamine
CID 9964296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of (2S)-2-methyl-N-propylbutan-1-amine (CID 28608572) is (2S)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for (2S)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for (2S)-2-methyl-N-propylbutan-1-amine is CCCNC[C@@H](C)CC.
What is the InChIKey of (2S)-2-methyl-N-propylbutan-1-amine?
The InChIKey is NEZXZJALWPRKGA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N/c1-4-6-9-7-8(3)5-2/h8-9H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-N-propylbutan-1-amine?
(2S)-2-methyl-N-propylbutan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 28608572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).