(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide

C11H22N2O — CID 78999327

IUPAC(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)[C@@H](C)N)CC1C
InChIInChI=1S/C11H22N2O/c1-7-4-5-10(6-8(7)2)13-11(14)9(3)12/h7-10H,4-6,12H2,1-3H3,(H,13,14)/t7?,8?,9-,10?/m1/s1
InChIKeyWZPXDRDFIRWXQH-OWTMBLHMSA-N
MW198.31 g/mol
LogP1.27
Rot. Bonds2

About (2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide

(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide (PubChem CID 78999327) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
PubChem CID78999327
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)[C@@H](C)N)CC1C
InChIInChI=1S/C11H22N2O/c1-7-4-5-10(6-8(7)2)13-11(14)9(3)12/h7-10H,4-6,12H2,1-3H3,(H,13,14)/t7?,8?,9-,10?/m1/s1
InChIKeyWZPXDRDFIRWXQH-OWTMBLHMSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide
CID 58369453
(2R)-2-amino-N-[(1S,3R,4R)-4-hydroxy-3-methylcyclohexyl]propanamide
CID 58369464
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
N-(3,4-dimethylcyclohexyl)-3-methyl-2-sulfanylbutanamide
CID 107031004
(2R)-2-amino-N-(2-methylcyclopropyl)propanamide
CID 62398561
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708
(2R)-2-amino-N-[3-(dimethylamino)cyclopentyl]propanamide
CID 131172237
2-amino-N-(2,3-dimethylcyclopentyl)propanamide
CID 64909126
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143
2-amino-N-(3-propan-2-ylcyclohexyl)propanamide
CID 119319045
(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
CID 58369423
(2S)-2-amino-N-(3-hydroxycyclobutyl)propanamide
CID 79026243

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide (CID 78999327) is (2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide is CC1CCC(NC(=O)[C@@H](C)N)CC1C.
What is the InChIKey of (2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide?
The InChIKey is WZPXDRDFIRWXQH-OWTMBLHMSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7-4-5-10(6-8(7)2)13-11(14)9(3)12/h7-10H,4-6,12H2,1-3H3,(H,13,14)/t7?,8?,9-,10?/m1/s1.
What are the key properties of (2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide?
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide has a molecular weight of 198.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 78999327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).