2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide

C14H28N2O2 — CID 55117109

IUPAC2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide
SMILESCCCCN(CCO)C(=O)CC1CCCC(N)C1
InChIInChI=1S/C14H28N2O2/c1-2-3-7-16(8-9-17)14(18)11-12-5-4-6-13(15)10-12/h12-13,17H,2-11,15H2,1H3
InChIKeyYWBRBMBFODNSFO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.51
Rot. Bonds7

About 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide

2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide (PubChem CID 55117109) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide
PubChem CID55117109
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide
SMILESCCCCN(CCO)C(=O)CC1CCCC(N)C1
InChIInChI=1S/C14H28N2O2/c1-2-3-7-16(8-9-17)14(18)11-12-5-4-6-13(15)10-12/h12-13,17H,2-11,15H2,1H3
InChIKeyYWBRBMBFODNSFO-UHFFFAOYSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-2-cyclopentylacetamide
CID 13315634
2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide
CID 106592757
2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide
CID 10314256
2-(2-aminocyclohexyl)-N,N-dibutylacetamide
CID 62781493
2-(3-aminocyclohexyl)-N-butan-2-yl-N-methylacetamide
CID 62781673
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
CID 114456956
2-(3-aminocyclohexyl)-N,N-dibutylpropanamide
CID 106592670
2-(3-aminocyclohexyl)-N-pentylacetamide
CID 62783155
2-amino-N-butyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 62782225
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100
N-(2-hydroxyethyl)-2-(3-methylcyclohexyl)-N-(2-phenylethyl)acetamide
CID 86943443
3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine
CID 63045600

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide (CID 55117109) is 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide is CCCCN(CCO)C(=O)CC1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is YWBRBMBFODNSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-3-7-16(8-9-17)14(18)11-12-5-4-6-13(15)10-12/h12-13,17H,2-11,15H2,1H3.
What are the key properties of 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide?
2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 55117109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).