2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide

C14H28N2O2 — CID 79813853

IUPAC2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
SMILESCCC(N)(CC)C(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C14H28N2O2/c1-4-14(15,5-2)12(18)16-13(10-17)8-6-11(3)7-9-13/h11,17H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyJUZWZKNLHTXNNM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.56
Rot. Bonds5

About 2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide

2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide (PubChem CID 79813853) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
PubChem CID79813853
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
SMILESCCC(N)(CC)C(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C14H28N2O2/c1-4-14(15,5-2)12(18)16-13(10-17)8-6-11(3)7-9-13/h11,17H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyJUZWZKNLHTXNNM-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 78991060
N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
CID 62526480
3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 62553215
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 62553169
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methylbut-2-enamide
CID 62526110
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 114898352
2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide
CID 107472051
(1S,6R)-6-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962384
N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
CID 63404095
5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide
CID 79198654

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide (CID 79813853) is 2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide is CCC(N)(CC)C(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of 2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide?
The InChIKey is JUZWZKNLHTXNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-14(15,5-2)12(18)16-13(10-17)8-6-11(3)7-9-13/h11,17H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide?
2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide is sourced from PubChem (CID 79813853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).