(2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide

C12H26N2O — CID 124873038

IUPAC(2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide
SMILESCC[C@@](C)(NC[C@H](C)CC(C)C)C(N)=O
InChIInChI=1S/C12H26N2O/c1-6-12(5,11(13)15)14-8-10(4)7-9(2)3/h9-10,14H,6-8H2,1-5H3,(H2,13,15)/t10-,12-/m1/s1
InChIKeyKIXNSBCWNURZJD-ZYHUDNBSSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds7

About (2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide

(2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide (PubChem CID 124873038) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide
PubChem CID124873038
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide
SMILESCC[C@@](C)(NC[C@H](C)CC(C)C)C(N)=O
InChIInChI=1S/C12H26N2O/c1-6-12(5,11(13)15)14-8-10(4)7-9(2)3/h9-10,14H,6-8H2,1-5H3,(H2,13,15)/t10-,12-/m1/s1
InChIKeyKIXNSBCWNURZJD-ZYHUDNBSSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide
CID 112738158
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide
CID 71918170
4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide
CID 66178652
2-(ethylamino)-2-methyl-3-(2-methylpentoxy)propanamide
CID 103284979
2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 79800969
2-[4-(2,4-dimethylpentylamino)phenyl]acetamide
CID 114200586
(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide
CID 95636090
2-(ethylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanamide
CID 64705904
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid
CID 79791571
4-(4-hydroxyphenyl)-2-methyl-2-(2-methylpropylamino)butanamide
CID 54892341
(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide
CID 97341035
ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
CID 61001690

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide?
The IUPAC name of (2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide (CID 124873038) is (2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide.
What is the SMILES notation for (2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide?
The canonical SMILES for (2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide is CC[C@@](C)(NC[C@H](C)CC(C)C)C(N)=O.
What is the InChIKey of (2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide?
The InChIKey is KIXNSBCWNURZJD-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-12(5,11(13)15)14-8-10(4)7-9(2)3/h9-10,14H,6-8H2,1-5H3,(H2,13,15)/t10-,12-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide?
(2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide is sourced from PubChem (CID 124873038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).