2-amino-N-(2,6-dimethylcyclohexyl)propanamide

C11H22N2O — CID 86248959

IUPAC2-amino-N-(2,6-dimethylcyclohexyl)propanamide
SMILESCC(N)C(=O)NC1C(C)CCCC1C
InChIInChI=1S/C11H22N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h7-10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyXIPMHLGCBGGUKW-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.27
Rot. Bonds2

About 2-amino-N-(2,6-dimethylcyclohexyl)propanamide

2-amino-N-(2,6-dimethylcyclohexyl)propanamide (PubChem CID 86248959) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-N-(2,6-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dimethylcyclohexyl)propanamide
PubChem CID86248959
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-N-(2,6-dimethylcyclohexyl)propanamide
SMILESCC(N)C(=O)NC1C(C)CCCC1C
InChIInChI=1S/C11H22N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h7-10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyXIPMHLGCBGGUKW-UHFFFAOYSA-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

(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
(2R)-2-amino-N-(2-methylcyclopropyl)propanamide
CID 62398561
2-amino-N-(2,3-dimethylcyclopentyl)propanamide
CID 64909126
(2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide
CID 66568028
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
CID 78999327
(2R)-2-amino-N-(thian-4-yl)propanamide
CID 103796198
2-amino-N-(3-propan-2-ylcyclohexyl)propanamide
CID 119319045
(2S)-2-amino-N-(3-hydroxycyclobutyl)propanamide
CID 79026243
(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
CID 130616794
(2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide
CID 58369453
(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
CID 103797253
(2R)-2-amino-N-[(1S,3R,4R)-4-hydroxy-3-methylcyclohexyl]propanamide
CID 58369464

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dimethylcyclohexyl)propanamide?
The IUPAC name of 2-amino-N-(2,6-dimethylcyclohexyl)propanamide (CID 86248959) is 2-amino-N-(2,6-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 2-amino-N-(2,6-dimethylcyclohexyl)propanamide?
The canonical SMILES for 2-amino-N-(2,6-dimethylcyclohexyl)propanamide is CC(N)C(=O)NC1C(C)CCCC1C.
What is the InChIKey of 2-amino-N-(2,6-dimethylcyclohexyl)propanamide?
The InChIKey is XIPMHLGCBGGUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h7-10H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-N-(2,6-dimethylcyclohexyl)propanamide?
2-amino-N-(2,6-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 2-amino-N-(2,6-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 86248959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).