3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide

C14H29N3O — CID 55227765

IUPAC3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
SMILESCN(C)CCN(C)C(=O)CCC1CCC(N)CC1
InChIInChI=1S/C14H29N3O/c1-16(2)10-11-17(3)14(18)9-6-12-4-7-13(15)8-5-12/h12-13H,4-11,15H2,1-3H3
InChIKeyZOQIWWZDCCQKSH-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds6

About 3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide

3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide (PubChem CID 55227765) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
PubChem CID55227765
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
SMILESCN(C)CCN(C)C(=O)CCC1CCC(N)CC1
InChIInChI=1S/C14H29N3O/c1-16(2)10-11-17(3)14(18)9-6-12-4-7-13(15)8-5-12/h12-13H,4-11,15H2,1-3H3
InChIKeyZOQIWWZDCCQKSH-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide (CID 55227765) is 3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide is CN(C)CCN(C)C(=O)CCC1CCC(N)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
The InChIKey is ZOQIWWZDCCQKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16(2)10-11-17(3)14(18)9-6-12-4-7-13(15)8-5-12/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide is sourced from PubChem (CID 55227765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).