2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide

C17H33N3O — CID 79114794

IUPAC2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide
SMILESCCN(C1CCC(N)CC1)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C17H33N3O/c1-3-20(16-11-9-14(18)10-12-16)13(2)17(21)19-15-7-5-4-6-8-15/h13-16H,3-12,18H2,1-2H3,(H,19,21)
InChIKeyILYWGNWJANBHAS-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.42
Rot. Bonds5

About 2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide

2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide (PubChem CID 79114794) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide
PubChem CID79114794
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide
SMILESCCN(C1CCC(N)CC1)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C17H33N3O/c1-3-20(16-11-9-14(18)10-12-16)13(2)17(21)19-15-7-5-4-6-8-15/h13-16H,3-12,18H2,1-2H3,(H,19,21)
InChIKeyILYWGNWJANBHAS-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.42
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)-ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 79115626
2-[2-aminoethyl(cyclobutyl)amino]-N-cyclohexylpropanamide
CID 102875118
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopentylpropanamide
CID 43137529
2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 79120936
2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
CID 79121066
1-(4-aminocyclohexyl)-1-ethyl-3-propan-2-ylurea
CID 79116126
2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide
CID 63225297
ethyl 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]acetate
CID 62026180
2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
CID 77400027
N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide
CID 79152914

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide (CID 79114794) is 2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide is CCN(C1CCC(N)CC1)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide?
The InChIKey is ILYWGNWJANBHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-20(16-11-9-14(18)10-12-16)13(2)17(21)19-15-7-5-4-6-8-15/h13-16H,3-12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide?
2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide has a molecular weight of 295.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide is sourced from PubChem (CID 79114794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).