N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide

C14H26N2O2 — CID 63767807

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
SMILESCC1CCC(CN)(NC(=O)C2CCCCO2)CC1
InChIInChI=1S/C14H26N2O2/c1-11-5-7-14(10-15,8-6-11)16-13(17)12-4-2-3-9-18-12/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyLTWJVMOLOJHBKE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.58
Rot. Bonds3

About N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide

N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide (PubChem CID 63767807) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
PubChem CID63767807
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
SMILESCC1CCC(CN)(NC(=O)C2CCCCO2)CC1
InChIInChI=1S/C14H26N2O2/c1-11-5-7-14(10-15,8-6-11)16-13(17)12-4-2-3-9-18-12/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyLTWJVMOLOJHBKE-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide
CID 94468705
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,4-dioxane-2-carboxamide
CID 63767249
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
N-[1-(bromomethyl)-3-methylcyclohexyl]oxolane-2-carboxamide
CID 114314670
N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide
CID 63755659
N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
CID 81327458
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63767439
3-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 62214759
3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea
CID 79154068
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 55047892
N-[1-(aminomethyl)-4-methylcyclohexyl]butanamide
CID 63766676

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide (CID 63767807) is N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide is CC1CCC(CN)(NC(=O)C2CCCCO2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide?
The InChIKey is LTWJVMOLOJHBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-5-7-14(10-15,8-6-11)16-13(17)12-4-2-3-9-18-12/h11-12H,2-10,15H2,1H3,(H,16,17).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide is sourced from PubChem (CID 63767807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).