2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide

C15H31N3O — CID 79112238

IUPAC2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(CCC)C1CCC(N)CC1
InChIInChI=1S/C15H31N3O/c1-4-10-17-15(19)12(3)18(11-5-2)14-8-6-13(16)7-9-14/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyNOBZLAUWYYRUNO-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.88
Rot. Bonds7

About 2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide

2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide (PubChem CID 79112238) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
PubChem CID79112238
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(CCC)C1CCC(N)CC1
InChIInChI=1S/C15H31N3O/c1-4-10-17-15(19)12(3)18(11-5-2)14-8-6-13(16)7-9-14/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyNOBZLAUWYYRUNO-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminocyclohexyl)-propylamino]-N-cyclopentylpropanamide
CID 79117291
2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide
CID 79112315
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide
CID 61231954
2-[3-aminopropyl(cyclopentyl)amino]-N-propylpropanamide
CID 43137600
1-(4-aminocyclohexyl)-1,3-dipropylurea
CID 79111587
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
4-amino-3-[cyclopropyl(propyl)amino]-N-propylbutanamide
CID 66426544
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618
2-[cyclobutyl(3-hydroxypropyl)amino]-N-pentylpropanamide
CID 102858511
2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide
CID 79114794
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide
CID 43460855

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide (CID 79112238) is 2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide is CCCNC(=O)C(C)N(CCC)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide?
The InChIKey is NOBZLAUWYYRUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-10-17-15(19)12(3)18(11-5-2)14-8-6-13(16)7-9-14/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide?
2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide is sourced from PubChem (CID 79112238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).