N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide

C16H31N3O — CID 79122123

IUPACN-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
SMILESCCNC1CCC(N(C)CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-17-13-8-10-15(11-9-13)19(2)12-16(20)18-14-6-4-5-7-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyBGEBGXSKQJPGBK-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds6

About N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide

N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide (PubChem CID 79122123) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
PubChem CID79122123
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
SMILESCCNC1CCC(N(C)CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-17-13-8-10-15(11-9-13)19(2)12-16(20)18-14-6-4-5-7-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyBGEBGXSKQJPGBK-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 79120936
2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 79123116
2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 79123117
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79123042
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
N-cyclopropyl-2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]acetamide
CID 79120233
N-cyclohexyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644075
N-cyclohexyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922828
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
N-ethylcyclopentanamine;methanol
CID 161343027
2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 102639901

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide?
The IUPAC name of N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide (CID 79122123) is N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide is CCNC1CCC(N(C)CC(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide?
The InChIKey is BGEBGXSKQJPGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-17-13-8-10-15(11-9-13)19(2)12-16(20)18-14-6-4-5-7-14/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide?
N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide is sourced from PubChem (CID 79122123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).