2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide

C14H29N3O — CID 63725529

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
SMILESCN(C)CCN(C)C(=O)CC1CCC(CN)CC1
InChIInChI=1S/C14H29N3O/c1-16(2)8-9-17(3)14(18)10-12-4-6-13(11-15)7-5-12/h12-13H,4-11,15H2,1-3H3
InChIKeyUMXUBTNCGTYVSM-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.16
Rot. Bonds6

About 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide

2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide (PubChem CID 63725529) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
PubChem CID63725529
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
SMILESCN(C)CCN(C)C(=O)CC1CCC(CN)CC1
InChIInChI=1S/C14H29N3O/c1-16(2)8-9-17(3)14(18)10-12-4-6-13(11-15)7-5-12/h12-13H,4-11,15H2,1-3H3
InChIKeyUMXUBTNCGTYVSM-UHFFFAOYSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide 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-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 63613727
N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
CID 115737510
3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55227765
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylacetamide
CID 63693325
2-(4-aminocyclohexyl)-N-ethyl-N-methylacetamide
CID 62783165
2-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 63612057
2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 55215076
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102992877
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide
CID 62782843
2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide
CID 63612231
2-(4-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781479

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide (CID 63725529) is 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide is CN(C)CCN(C)C(=O)CC1CCC(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The InChIKey is UMXUBTNCGTYVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16(2)8-9-17(3)14(18)10-12-4-6-13(11-15)7-5-12/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide has a molecular weight of 255.41 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide is sourced from PubChem (CID 63725529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).