N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

C16H29N3O — CID 106613603

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCCC1=CCCCC1)CC1CCCN1
InChIInChI=1S/C16H29N3O/c1-19(12-15-8-5-10-17-15)13-16(20)18-11-9-14-6-3-2-4-7-14/h6,15,17H,2-5,7-13H2,1H3,(H,18,20)
InChIKeyWKCOYCCUQRVNGV-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.68
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106613603) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106613603
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCCC1=CCCCC1)CC1CCCN1
InChIInChI=1S/C16H29N3O/c1-19(12-15-8-5-10-17-15)13-16(20)18-11-9-14-6-3-2-4-7-14/h6,15,17H,2-5,7-13H2,1H3,(H,18,20)
InChIKeyWKCOYCCUQRVNGV-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635191
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858733
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate
CID 62011450
2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166064
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-3-ylacetamide
CID 55105005
(2R)-N-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 106175364
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62016038
2-[tert-butyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 79262989
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 106613623

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106613603) is N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is CN(CC(=O)NCCC1=CCCCC1)CC1CCCN1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is WKCOYCCUQRVNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-19(12-15-8-5-10-17-15)13-16(20)18-11-9-14-6-3-2-4-7-14/h6,15,17H,2-5,7-13H2,1H3,(H,18,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 279.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106613603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).