2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide

C15H28N2O2 — CID 104677648

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)CC1(CN)CCCCC1)C1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-17(13-5-9-19-10-6-13)14(18)11-15(12-16)7-3-2-4-8-15/h13H,2-12,16H2,1H3
InChIKeyTWXGIIQJRNGGQZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 104677648) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID104677648
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)CC1(CN)CCCCC1)C1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-17(13-5-9-19-10-6-13)14(18)11-15(12-16)7-3-2-4-8-15/h13H,2-12,16H2,1H3
InChIKeyTWXGIIQJRNGGQZ-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-cyclopentyl-N-methylacetamide
CID 113440139
2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide
CID 81179607
2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
CID 104677867
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide
CID 104677614
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
7-amino-N-methyl-N-(oxan-4-yl)heptanamide
CID 43611104
6-amino-N-methyl-N-(oxan-4-yl)hexanamide
CID 43611096
4-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]oxolane-3-carboxylic acid
CID 81168934
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
2-[1-(aminomethyl)cyclohexyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113475600
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 104678196

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide (CID 104677648) is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide is CN(C(=O)CC1(CN)CCCCC1)C1CCOCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is TWXGIIQJRNGGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17(13-5-9-19-10-6-13)14(18)11-15(12-16)7-3-2-4-8-15/h13H,2-12,16H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 104677648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).