(2S)-2-amino-N,N-bis(3-methylbutyl)propanamide

C13H28N2O — CID 61147605

IUPAC(2S)-2-amino-N,N-bis(3-methylbutyl)propanamide
SMILESCC(C)CCN(CCC(C)C)C(=O)[C@H](C)N
InChIInChI=1S/C13H28N2O/c1-10(2)6-8-15(9-7-11(3)4)13(16)12(5)14/h10-12H,6-9,14H2,1-5H3/t12-/m0/s1
InChIKeyBJEOEKZGWAIIND-LBPRGKRZSA-N
MW228.38 g/mol
LogP2.25
Rot. Bonds7

About (2S)-2-amino-N,N-bis(3-methylbutyl)propanamide

(2S)-2-amino-N,N-bis(3-methylbutyl)propanamide (PubChem CID 61147605) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S)-2-amino-N,N-bis(3-methylbutyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,N-bis(3-methylbutyl)propanamide
PubChem CID61147605
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2S)-2-amino-N,N-bis(3-methylbutyl)propanamide
SMILESCC(C)CCN(CCC(C)C)C(=O)[C@H](C)N
InChIInChI=1S/C13H28N2O/c1-10(2)6-8-15(9-7-11(3)4)13(16)12(5)14/h10-12H,6-9,14H2,1-5H3/t12-/m0/s1
InChIKeyBJEOEKZGWAIIND-LBPRGKRZSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Valine-pyrrolidide
CID 447256
(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide
CID 10130367
(2S)-2-amino-N-(cyanomethyl)-N,3-dimethylbutanamide
CID 23645882
(2S)-2-amino-N-(cyanomethyl)-N,3,3-trimethylbutanamide
CID 23645883
N-butan-2-yl-3-methylbutanamide
CID 234387
2-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone
CID 4470972
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 10989432
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 11748635
Ala-boroLeu
CID 53362661
(2S)-2-amino-N-butyl-N-(cyanomethyl)-3,3-dimethylbutanamide
CID 23645884
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 9839352
2-amino-N-[(1R,2S)-1-difluoroboranyl-2-methylbutyl]propanamide
CID 44300567

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-bis(3-methylbutyl)propanamide?
The IUPAC name of (2S)-2-amino-N,N-bis(3-methylbutyl)propanamide (CID 61147605) is (2S)-2-amino-N,N-bis(3-methylbutyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N,N-bis(3-methylbutyl)propanamide?
The canonical SMILES for (2S)-2-amino-N,N-bis(3-methylbutyl)propanamide is CC(C)CCN(CCC(C)C)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N,N-bis(3-methylbutyl)propanamide?
The InChIKey is BJEOEKZGWAIIND-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)6-8-15(9-7-11(3)4)13(16)12(5)14/h10-12H,6-9,14H2,1-5H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N,N-bis(3-methylbutyl)propanamide?
(2S)-2-amino-N,N-bis(3-methylbutyl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-bis(3-methylbutyl)propanamide is sourced from PubChem (CID 61147605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).