(2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide

C13H29N3O — CID 119888444

IUPAC(2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide
SMILESCC[C@H](N)C(=O)NC(CCN(C)C)C(C)(C)C
InChIInChI=1S/C13H29N3O/c1-7-10(14)12(17)15-11(13(2,3)4)8-9-16(5)6/h10-11H,7-9,14H2,1-6H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyGLCSOLLWJFDPDN-VUWPPUDQSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds6

About (2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide

(2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide (PubChem CID 119888444) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide
PubChem CID119888444
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name(2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide
SMILESCC[C@H](N)C(=O)NC(CCN(C)C)C(C)(C)C
InChIInChI=1S/C13H29N3O/c1-7-10(14)12(17)15-11(13(2,3)4)8-9-16(5)6/h10-11H,7-9,14H2,1-6H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyGLCSOLLWJFDPDN-VUWPPUDQSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106349899
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119888442
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide
CID 114176937
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]butanamide
CID 82945905
(2R)-N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-pyrimidin-5-ylpropanamide
CID 124726543
3-(2-aminophenyl)-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]propanamide;dihydrochloride
CID 120613234
1-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(3-hydroxypropyl)urea
CID 111422941
(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide
CID 114176965
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538856
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide (CID 119888444) is (2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide is CC[C@H](N)C(=O)NC(CCN(C)C)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide?
The InChIKey is GLCSOLLWJFDPDN-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H29N3O/c1-7-10(14)12(17)15-11(13(2,3)4)8-9-16(5)6/h10-11H,7-9,14H2,1-6H3,(H,15,17)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide?
(2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide is sourced from PubChem (CID 119888444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).