(2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide

C13H24N2O2 — CID 113462519

IUPAC(2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCO1)C1CCCCC1CN
InChIInChI=1S/C13H24N2O2/c1-15(13(16)12-7-4-8-17-12)11-6-3-2-5-10(11)9-14/h10-12H,2-9,14H2,1H3/t10?,11?,12-/m0/s1
InChIKeySQWXMRVGMQMGIP-MCIGGMRASA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds3

About (2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide

(2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide (PubChem CID 113462519) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide
PubChem CID113462519
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCO1)C1CCCCC1CN
InChIInChI=1S/C13H24N2O2/c1-15(13(16)12-7-4-8-17-12)11-6-3-2-5-10(11)9-14/h10-12H,2-9,14H2,1H3/t10?,11?,12-/m0/s1
InChIKeySQWXMRVGMQMGIP-MCIGGMRASA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-methyloxolane-2-carboxamide
CID 127002329
N-[2-(aminomethyl)cyclopentyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002255
N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104520756
N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane
CID 171632983
N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide
CID 79160948
N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide
CID 79151771
N-(2-aminoethyl)-N-cyclopentyloxolane-2-carboxamide
CID 63754436
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyloxolane-2-carboxamide
CID 79111397
N-methyl-N-piperidin-4-yloxolane-2-carboxamide;hydrochloride
CID 119260019
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide
CID 104520757
N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
CID 62212648
N-(2-hydroxypropyl)-N-methyloxolane-2-carboxamide
CID 62335321

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide (CID 113462519) is (2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide is CN(C(=O)[C@@H]1CCCO1)C1CCCCC1CN.
What is the InChIKey of (2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide?
The InChIKey is SQWXMRVGMQMGIP-MCIGGMRASA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15(13(16)12-7-4-8-17-12)11-6-3-2-5-10(11)9-14/h10-12H,2-9,14H2,1H3/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide?
(2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 113462519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).