2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide

C13H22N2O — CID 63563665

IUPAC2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
SMILESO=C(CC1=CCCCC1)NCCNC1CC1
InChIInChI=1S/C13H22N2O/c16-13(10-11-4-2-1-3-5-11)15-9-8-14-12-6-7-12/h4,12,14H,1-3,5-10H2,(H,15,16)
InChIKeyKHTAITSGEKDMCI-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.75
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide

2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide (PubChem CID 63563665) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
PubChem CID63563665
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
SMILESO=C(CC1=CCCCC1)NCCNC1CC1
InChIInChI=1S/C13H22N2O/c16-13(10-11-4-2-1-3-5-11)15-9-8-14-12-6-7-12/h4,12,14H,1-3,5-10H2,(H,15,16)
InChIKeyKHTAITSGEKDMCI-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
2-(cyclohexen-1-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111433969
2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 110022186
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537
2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121943
2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 142231220
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688799
2-[2-[[2-(cyclohexen-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373690
2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide
CID 97039150
N-(2-aminocyclopropyl)-2-(cyclohexen-1-yl)acetamide
CID 63563093

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide (CID 63563665) is 2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide is O=C(CC1=CCCCC1)NCCNC1CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide?
The InChIKey is KHTAITSGEKDMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(10-11-4-2-1-3-5-11)15-9-8-14-12-6-7-12/h4,12,14H,1-3,5-10H2,(H,15,16).
What are the key properties of 2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide?
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide is sourced from PubChem (CID 63563665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).