3-amino-N-(cyclohexylmethyl)-N-propylpropanamide

C13H26N2O — CID 119302227

IUPAC3-amino-N-(cyclohexylmethyl)-N-propylpropanamide
SMILESCCCN(CC1CCCCC1)C(=O)CCN
InChIInChI=1S/C13H26N2O/c1-2-10-15(13(16)8-9-14)11-12-6-4-3-5-7-12/h12H,2-11,14H2,1H3
InChIKeyYPMHUWUNFOLPJE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds6

About 3-amino-N-(cyclohexylmethyl)-N-propylpropanamide

3-amino-N-(cyclohexylmethyl)-N-propylpropanamide (PubChem CID 119302227) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-N-propylpropanamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-N-propylpropanamide
PubChem CID119302227
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-N-(cyclohexylmethyl)-N-propylpropanamide
SMILESCCCN(CC1CCCCC1)C(=O)CCN
InChIInChI=1S/C13H26N2O/c1-2-10-15(13(16)8-9-14)11-12-6-4-3-5-7-12/h12H,2-11,14H2,1H3
InChIKeyYPMHUWUNFOLPJE-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107397900
N-(cyclohexylmethyl)-2-(methylamino)-N-propylacetamide;hydrochloride
CID 119746850
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
CID 114456956
N-(3-amino-2,2-dimethylpropyl)-3-cyclohexyl-N-propylpropanamide
CID 79667842
2-amino-N-(cyclohexylmethyl)-N-propylpentanamide;hydrochloride
CID 119302235
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide
CID 119746849
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119746848
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
N-(cyclopropylmethyl)-2-ethoxy-N-propylacetamide
CID 60637735
N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide
CID 61224500
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-propylpropanamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-propylpropanamide (CID 119302227) is 3-amino-N-(cyclohexylmethyl)-N-propylpropanamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-N-propylpropanamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-N-propylpropanamide is CCCN(CC1CCCCC1)C(=O)CCN.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-N-propylpropanamide?
The InChIKey is YPMHUWUNFOLPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-10-15(13(16)8-9-14)11-12-6-4-3-5-7-12/h12H,2-11,14H2,1H3.
What are the key properties of 3-amino-N-(cyclohexylmethyl)-N-propylpropanamide?
3-amino-N-(cyclohexylmethyl)-N-propylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-N-propylpropanamide is sourced from PubChem (CID 119302227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).