N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide

C16H31N3O — CID 79122448

IUPACN-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
SMILESCNC1CCC(N(C)C(C)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-12(16(20)18-14-6-4-5-7-14)19(3)15-10-8-13(17-2)9-11-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyAWXPOUYYWLKBDT-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds5

About N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide

N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide (PubChem CID 79122448) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
PubChem CID79122448
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
SMILESCNC1CCC(N(C)C(C)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-12(16(20)18-14-6-4-5-7-14)19(3)15-10-8-13(17-2)9-11-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyAWXPOUYYWLKBDT-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide
CID 66188303
N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
CID 79122141
N-cyclopropyl-2-[(3-hydroxycyclobutyl)-methylamino]propanamide
CID 136530890
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
N-(2-methoxyethyl)-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
CID 79122216
N-cyclopropyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102636298
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
N-cyclopentyl-2-(methylamino)propanamide
CID 43083499
(2S)-N-cyclopentyl-2-(methylamino)propanamide
CID 28827015
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopentylpropanamide
CID 43137529
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 55007305

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide (CID 79122448) is N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide is CNC1CCC(N(C)C(C)C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide?
The InChIKey is AWXPOUYYWLKBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(16(20)18-14-6-4-5-7-14)19(3)15-10-8-13(17-2)9-11-15/h12-15,17H,4-11H2,1-3H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide?
N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide is sourced from PubChem (CID 79122448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).