3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide

C13H24N2O2 — CID 113396384

IUPAC3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CC(N)CC(C(=O)NCC2CCOC2)C1
InChIInChI=1S/C13H24N2O2/c1-9-4-11(6-12(14)5-9)13(16)15-7-10-2-3-17-8-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyALJKYUAGCIQXJT-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.90
Rot. Bonds3

About 3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide

3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 113396384) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID113396384
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CC(N)CC(C(=O)NCC2CCOC2)C1
InChIInChI=1S/C13H24N2O2/c1-9-4-11(6-12(14)5-9)13(16)15-7-10-2-3-17-8-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyALJKYUAGCIQXJT-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550051
4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 102628487
9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986884
2-amino-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 62825271
2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54933491
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978063
2-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79388592
[(3S)-oxolan-3-yl]methylthiourea
CID 155092618
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide (CID 113396384) is 3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide is CC1CC(N)CC(C(=O)NCC2CCOC2)C1.
What is the InChIKey of 3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is ALJKYUAGCIQXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-4-11(6-12(14)5-9)13(16)15-7-10-2-3-17-8-10/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113396384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).