2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide

C16H31N3O — CID 62007948

IUPAC2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
SMILESCCN(CC(=O)NC1CCCCC1)C1(CN)CCCC1
InChIInChI=1S/C16H31N3O/c1-2-19(16(13-17)10-6-7-11-16)12-15(20)18-14-8-4-3-5-9-14/h14H,2-13,17H2,1H3,(H,18,20)
InChIKeyKIPUHIICKVPNAP-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.03
Rot. Bonds6

About 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide

2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide (PubChem CID 62007948) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
PubChem CID62007948
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
SMILESCCN(CC(=O)NC1CCCCC1)C1(CN)CCCC1
InChIInChI=1S/C16H31N3O/c1-2-19(16(13-17)10-6-7-11-16)12-15(20)18-14-8-4-3-5-9-14/h14H,2-13,17H2,1H3,(H,18,20)
InChIKeyKIPUHIICKVPNAP-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide
CID 63097786
1-[1-(aminomethyl)cyclohexyl]-3-cyclobutyl-1-ethylurea
CID 116658154
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
CID 62008327
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
CID 62006925
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62008536
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
CID 62006174
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 62006571
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide
CID 62007297

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide (CID 62007948) is 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide is CCN(CC(=O)NC1CCCCC1)C1(CN)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide?
The InChIKey is KIPUHIICKVPNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-19(16(13-17)10-6-7-11-16)12-15(20)18-14-8-4-3-5-9-14/h14H,2-13,17H2,1H3,(H,18,20).
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide?
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide has a molecular weight of 281.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 62007948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).