4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide

C13H24N2O2 — CID 115150625

IUPAC4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-14-11-4-2-10(3-5-11)13(16)15-12-6-8-17-9-7-12/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyKIPNQHRJNNJZMY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds3

About 4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide

4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide (PubChem CID 115150625) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
PubChem CID115150625
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-14-11-4-2-10(3-5-11)13(16)15-12-6-8-17-9-7-12/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyKIPNQHRJNNJZMY-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide (CID 115150625) is 4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide is CNC1CCC(C(=O)NC2CCOCC2)CC1.
What is the InChIKey of 4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The InChIKey is KIPNQHRJNNJZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-11-4-2-10(3-5-11)13(16)15-12-6-8-17-9-7-12/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115150625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).