1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide

C13H24N2O2 — CID 82726373

IUPAC1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
SMILESCC1OCCC1NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C13H24N2O2/c1-10-11(5-8-17-10)15-12(16)13(9-14)6-3-2-4-7-13/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyNQKYGFIXIARQGR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.19
Rot. Bonds3

About 1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide (PubChem CID 82726373) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
PubChem CID82726373
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
SMILESCC1OCCC1NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C13H24N2O2/c1-10-11(5-8-17-10)15-12(16)13(9-14)6-3-2-4-7-13/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyNQKYGFIXIARQGR-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide (CID 82726373) is 1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide is CC1OCCC1NC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is NQKYGFIXIARQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-11(5-8-17-10)15-12(16)13(9-14)6-3-2-4-7-13/h10-11H,2-9,14H2,1H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 82726373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).