3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide

C13H26N2O2 — CID 65118910

IUPAC3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
SMILESCCC1CCC(O)(CNC(=O)CC(C)N)CC1
InChIInChI=1S/C13H26N2O2/c1-3-11-4-6-13(17,7-5-11)9-15-12(16)8-10(2)14/h10-11,17H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyCLMMGCICOPWDDP-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds5

About 3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide

3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide (PubChem CID 65118910) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
PubChem CID65118910
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
SMILESCCC1CCC(O)(CNC(=O)CC(C)N)CC1
InChIInChI=1S/C13H26N2O2/c1-3-11-4-6-13(17,7-5-11)9-15-12(16)8-10(2)14/h10-11,17H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyCLMMGCICOPWDDP-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 65119958
6-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylhexanamide
CID 65119052
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-4-oxobutanoic acid
CID 65117218
2-(cyclopentylamino)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65120006
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
2-amino-3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]propanoic acid
CID 103253424
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 65119962
1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 65123888
2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65173907
methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate
CID 65118877

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide (CID 65118910) is 3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide is CCC1CCC(O)(CNC(=O)CC(C)N)CC1.
What is the InChIKey of 3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide?
The InChIKey is CLMMGCICOPWDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-11-4-6-13(17,7-5-11)9-15-12(16)8-10(2)14/h10-11,17H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide?
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide is sourced from PubChem (CID 65118910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).