4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide

C13H24N2O2 — CID 62386039

IUPAC4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c14-13(16)11-1-3-12(4-2-11)15-9-10-5-7-17-8-6-10/h10-12,15H,1-9H2,(H2,14,16)
InChIKeyQOIFCBOCIJZDTP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds4

About 4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide

4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 62386039) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID62386039
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c14-13(16)11-1-3-12(4-2-11)15-9-10-5-7-17-8-6-10/h10-12,15H,1-9H2,(H2,14,16)
InChIKeyQOIFCBOCIJZDTP-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

oxane-4-carboxamide
CID 13197203
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine
CID 79461695
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
methyl 4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylate
CID 115149309
4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 115149138
4-(hydrazinylmethyl)cyclohexane-1-carboxamide
CID 123819630
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
CID 54914189
2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 62386340
N,N-dimethyl-4-(oxan-4-ylmethylamino)piperidine-1-carboxamide
CID 83202827
1-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 67032986

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide (CID 62386039) is 4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(NCC2CCOCC2)CC1.
What is the InChIKey of 4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is QOIFCBOCIJZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-13(16)11-1-3-12(4-2-11)15-9-10-5-7-17-8-6-10/h10-12,15H,1-9H2,(H2,14,16).
What are the key properties of 4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide?
4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 62386039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).