(2S)-N-butan-2-yl-2-(methylamino)propanamide

C8H18N2O — CID 130563801

IUPAC(2S)-N-butan-2-yl-2-(methylamino)propanamide
SMILESCCC(C)NC(=O)[C@H](C)NC
InChIInChI=1S/C8H18N2O/c1-5-6(2)10-8(11)7(3)9-4/h6-7,9H,5H2,1-4H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyFJTICOXOYAYSJN-MLWJPKLSSA-N
MW158.24 g/mol
LogP0.51
Rot. Bonds4

About (2S)-N-butan-2-yl-2-(methylamino)propanamide

(2S)-N-butan-2-yl-2-(methylamino)propanamide (PubChem CID 130563801) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-N-butan-2-yl-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-butan-2-yl-2-(methylamino)propanamide
PubChem CID130563801
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(2S)-N-butan-2-yl-2-(methylamino)propanamide
SMILESCCC(C)NC(=O)[C@H](C)NC
InChIInChI=1S/C8H18N2O/c1-5-6(2)10-8(11)7(3)9-4/h6-7,9H,5H2,1-4H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyFJTICOXOYAYSJN-MLWJPKLSSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-(4-methylpentan-2-yl)propanamide
CID 62638556
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide
CID 60719517
(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
CID 14711535
N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide
CID 114416657
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide
CID 60597163
2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 119756305
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide
CID 115899230
N-butan-2-yl-2-propylpentanamide
CID 115532227
N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 113228551

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butan-2-yl-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-butan-2-yl-2-(methylamino)propanamide (CID 130563801) is (2S)-N-butan-2-yl-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-butan-2-yl-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-butan-2-yl-2-(methylamino)propanamide is CCC(C)NC(=O)[C@H](C)NC.
What is the InChIKey of (2S)-N-butan-2-yl-2-(methylamino)propanamide?
The InChIKey is FJTICOXOYAYSJN-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-6(2)10-8(11)7(3)9-4/h6-7,9H,5H2,1-4H3,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of (2S)-N-butan-2-yl-2-(methylamino)propanamide?
(2S)-N-butan-2-yl-2-(methylamino)propanamide has a molecular weight of 158.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butan-2-yl-2-(methylamino)propanamide is sourced from PubChem (CID 130563801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).