2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide

C14H26N2O3 — CID 106101649

IUPAC2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCCCC1CN
InChIInChI=1S/C14H26N2O3/c1-10-14(18,6-7-19-10)9-16-13(17)12-5-3-2-4-11(12)8-15/h10-12,18H,2-9,15H2,1H3,(H,16,17)
InChIKeyHMVIVKTURQJUQW-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.41
Rot. Bonds4

About 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide

2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 106101649) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID106101649
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCCCC1CN
InChIInChI=1S/C14H26N2O3/c1-10-14(18,6-7-19-10)9-16-13(17)12-5-3-2-4-11(12)8-15/h10-12,18H,2-9,15H2,1H3,(H,16,17)
InChIKeyHMVIVKTURQJUQW-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101785
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 106101650
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101708
2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101531
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 79363022
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide
CID 112702843
5-[(3-hydroxy-2-methyloxolan-3-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106099783
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106101672

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide (CID 106101649) is 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide is CC1OCCC1(O)CNC(=O)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is HMVIVKTURQJUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-14(18,6-7-19-10)9-16-13(17)12-5-3-2-4-11(12)8-15/h10-12,18H,2-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide?
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106101649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).