3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide

C14H28N2O2 — CID 103966735

IUPAC3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
SMILESCCNC(C)CC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-15-12(2)9-13(18)16-10-14(11-17)7-5-4-6-8-14/h12,15,17H,3-11H2,1-2H3,(H,16,18)
InChIKeyQEXVBWCISMJXOT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds7

About 3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide

3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide (PubChem CID 103966735) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
PubChem CID103966735
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
SMILESCCNC(C)CC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-15-12(2)9-13(18)16-10-14(11-17)7-5-4-6-8-14/h12,15,17H,3-11H2,1-2H3,(H,16,18)
InChIKeyQEXVBWCISMJXOT-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
CID 65120418
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
1-[3-(ethylamino)butanoylamino]cyclobutane-1-carboxylic acid
CID 81161523
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110354780
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxypentanamide
CID 113382189
2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid
CID 83214006

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide (CID 103966735) is 3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide is CCNC(C)CC(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
The InChIKey is QEXVBWCISMJXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-15-12(2)9-13(18)16-10-14(11-17)7-5-4-6-8-14/h12,15,17H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide is sourced from PubChem (CID 103966735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).