4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide

C17H32N2O — CID 106175448

IUPAC4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NCCC1=CCCC1
InChIInChI=1S/C17H32N2O/c1-17(2,3)15(10-12-18)8-9-16(20)19-13-11-14-6-4-5-7-14/h6,15H,4-5,7-13,18H2,1-3H3,(H,19,20)
InChIKeyVTFMSMWHGVZYOC-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.39
Rot. Bonds8

About 4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide

4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide (PubChem CID 106175448) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
PubChem CID106175448
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NCCC1=CCCC1
InChIInChI=1S/C17H32N2O/c1-17(2,3)15(10-12-18)8-9-16(20)19-13-11-14-6-4-5-7-14/h6,15H,4-5,7-13,18H2,1-3H3,(H,19,20)
InChIKeyVTFMSMWHGVZYOC-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-ethylhexanamide
CID 106175300
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
CID 106175130
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide
CID 106175165
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
4-(2-aminoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
CID 106047856
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
CID 115325284
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264692
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclopenten-1-yl)ethyl]-2-ethoxyacetamide
CID 103842215
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide (CID 106175448) is 4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide is CC(C)(C)C(CCN)CCC(=O)NCCC1=CCCC1.
What is the InChIKey of 4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide?
The InChIKey is VTFMSMWHGVZYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-17(2,3)15(10-12-18)8-9-16(20)19-13-11-14-6-4-5-7-14/h6,15H,4-5,7-13,18H2,1-3H3,(H,19,20).
What are the key properties of 4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide?
4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide has a molecular weight of 280.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 106175448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).