2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide

C14H27N3O — CID 55116762

IUPAC2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESNC1CCC(CC(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C14H27N3O/c15-13-5-3-12(4-6-13)11-14(18)16-7-10-17-8-1-2-9-17/h12-13H,1-11,15H2,(H,16,18)
InChIKeyFQAXPDYVESFKEY-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.11
Rot. Bonds5

About 2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide

2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 55116762) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID55116762
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESNC1CCC(CC(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C14H27N3O/c15-13-5-3-12(4-6-13)11-14(18)16-7-10-17-8-1-2-9-17/h12-13H,1-11,15H2,(H,16,18)
InChIKeyFQAXPDYVESFKEY-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 63613064
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79610567
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
CID 55117197
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46295063
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 50768014
2-[[2-(4-aminocyclohexyl)acetyl]amino]ethyl carbamate
CID 83215436

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 55116762) is 2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide is NC1CCC(CC(=O)NCCN2CCCC2)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is FQAXPDYVESFKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-13-5-3-12(4-6-13)11-14(18)16-7-10-17-8-1-2-9-17/h12-13H,1-11,15H2,(H,16,18).
What are the key properties of 2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 55116762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).