2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide

C14H29N3O — CID 79112315

IUPAC2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide
SMILESCCCN(C1CCC(N)CC1)C(C)C(=O)N(C)C
InChIInChI=1S/C14H29N3O/c1-5-10-17(11(2)14(18)16(3)4)13-8-6-12(15)7-9-13/h11-13H,5-10,15H2,1-4H3
InChIKeyMMDLLJFGBUUBLR-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds5

About 2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide

2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide (PubChem CID 79112315) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide
PubChem CID79112315
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide
SMILESCCCN(C1CCC(N)CC1)C(C)C(=O)N(C)C
InChIInChI=1S/C14H29N3O/c1-5-10-17(11(2)14(18)16(3)4)13-8-6-12(15)7-9-13/h11-13H,5-10,15H2,1-4H3
InChIKeyMMDLLJFGBUUBLR-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
2-[(4-aminocyclohexyl)-propylamino]-N-cyclopentylpropanamide
CID 79117291
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 114868433
4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111630
2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide
CID 79121180
N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide
CID 104520783
N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide
CID 79115669
N-(4-aminocyclohexyl)-N-ethyl-2-methylpentanamide
CID 79115926
3-[(4-aminocyclohexyl)-methylamino]butanoic acid
CID 79121835
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide (CID 79112315) is 2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide is CCCN(C1CCC(N)CC1)C(C)C(=O)N(C)C.
What is the InChIKey of 2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide?
The InChIKey is MMDLLJFGBUUBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-10-17(11(2)14(18)16(3)4)13-8-6-12(15)7-9-13/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide?
2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 79112315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).