N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide

C15H27N3O — CID 107423829

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
SMILESCC1(NCC(=O)NCCC2=CCCCC2)CCNC1
InChIInChI=1S/C15H27N3O/c1-15(8-10-16-12-15)18-11-14(19)17-9-7-13-5-3-2-4-6-13/h5,16,18H,2-4,6-12H2,1H3,(H,17,19)
InChIKeyRSFFLVIBNSVNCW-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.33
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide (PubChem CID 107423829) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
PubChem CID107423829
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
SMILESCC1(NCC(=O)NCCC2=CCCCC2)CCNC1
InChIInChI=1S/C15H27N3O/c1-15(8-10-16-12-15)18-11-14(19)17-9-7-13-5-3-2-4-6-13/h5,16,18H,2-4,6-12H2,1H3,(H,17,19)
InChIKeyRSFFLVIBNSVNCW-UHFFFAOYSA-N
XLogP1.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 114154046
N-[2-(cyclopenten-1-yl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 114154033
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 106175171
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-3-ylacetamide
CID 55105005
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54811825
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclopenten-1-yl)ethyl]-2-ethoxyacetamide
CID 103842215

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide (CID 107423829) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide is CC1(NCC(=O)NCCC2=CCCCC2)CCNC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
The InChIKey is RSFFLVIBNSVNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(8-10-16-12-15)18-11-14(19)17-9-7-13-5-3-2-4-6-13/h5,16,18H,2-4,6-12H2,1H3,(H,17,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide has a molecular weight of 265.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 107423829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).