N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide

C13H28N2O — CID 115711305

IUPACN,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide
SMILESCCC(NC(C(=O)N(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-8-11(9(2)3)14-12(10(4)5)13(16)15(6)7/h9-12,14H,8H2,1-7H3
InChIKeyBGLREFKARVOWSV-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.12
Rot. Bonds6

About N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide

N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide (PubChem CID 115711305) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide.

Molecular Properties

Compound NameN,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide
PubChem CID115711305
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide
SMILESCCC(NC(C(=O)N(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-8-11(9(2)3)14-12(10(4)5)13(16)15(6)7/h9-12,14H,8H2,1-7H3
InChIKeyBGLREFKARVOWSV-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-trimethyl-2-(2-methylpentan-3-ylamino)pentanamide
CID 43779357
2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide
CID 115711311
2-(ethylamino)-N,N,3-trimethylbutanamide
CID 143168828
2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide
CID 115711313
N,N-dimethyl-2-(2-methylpentan-3-ylamino)acetamide
CID 43775382
2-(2-methylpentan-3-ylamino)pentanoic acid
CID 65055510
2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
CID 61464462
(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide
CID 166777631
N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine
CID 102869336
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide
CID 129041586
(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide?
The IUPAC name of N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide (CID 115711305) is N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide.
What is the SMILES notation for N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide?
The canonical SMILES for N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide is CCC(NC(C(=O)N(C)C)C(C)C)C(C)C.
What is the InChIKey of N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide?
The InChIKey is BGLREFKARVOWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-8-11(9(2)3)14-12(10(4)5)13(16)15(6)7/h9-12,14H,8H2,1-7H3.
What are the key properties of N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide?
N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide has a molecular weight of 228.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide is sourced from PubChem (CID 115711305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).