3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide

C15H28N2O — CID 106175130

IUPAC3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)NCCC1=CCCC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)11-13(16)10-14(18)17-9-8-12-6-4-5-7-12/h6,13H,4-5,7-11,16H2,1-3H3,(H,17,18)
InChIKeyZFAVIPTUFLYKEG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.76
Rot. Bonds6

About 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide

3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide (PubChem CID 106175130) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
PubChem CID106175130
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)NCCC1=CCCC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)11-13(16)10-14(18)17-9-8-12-6-4-5-7-12/h6,13H,4-5,7-11,16H2,1-3H3,(H,17,18)
InChIKeyZFAVIPTUFLYKEG-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.76
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

4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
CID 106175448
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide
CID 114153809
(2R)-2-amino-3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106442713
N-[2-(cyclopenten-1-yl)ethyl]-2-ethoxyacetamide
CID 103842215
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106178507
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 64896000
2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106178401
(2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106175266
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264692

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide (CID 106175130) is 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide is CC(C)(C)CC(N)CC(=O)NCCC1=CCCC1.
What is the InChIKey of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide?
The InChIKey is ZFAVIPTUFLYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)11-13(16)10-14(18)17-9-8-12-6-4-5-7-12/h6,13H,4-5,7-11,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide?
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide has a molecular weight of 252.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 106175130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).