5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile

C14H24N2 — CID 106174040

IUPAC5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNCCC1=CCCC1
InChIInChI=1S/C14H24N2/c1-14(2,12-15)9-5-10-16-11-8-13-6-3-4-7-13/h6,16H,3-5,7-11H2,1-2H3
InChIKeyDTDXRRFQUHALGH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.41
Rot. Bonds7

About 5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile

5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile (PubChem CID 106174040) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile
PubChem CID106174040
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNCCC1=CCCC1
InChIInChI=1S/C14H24N2/c1-14(2,12-15)9-5-10-16-11-8-13-6-3-4-7-13/h6,16H,3-5,7-11H2,1-2H3
InChIKeyDTDXRRFQUHALGH-UHFFFAOYSA-N
XLogP3.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
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-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile
CID 130917935
4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106177113
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
N-[2-(cyclopenten-1-yl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 106174186
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908
N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114153943
2-cyano-N-[2-(cyclopenten-1-yl)ethyl]-2-propylpentanamide
CID 106173529
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile (CID 106174040) is 5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCNCCC1=CCCC1.
What is the InChIKey of 5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile?
The InChIKey is DTDXRRFQUHALGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-14(2,12-15)9-5-10-16-11-8-13-6-3-4-7-13/h6,16H,3-5,7-11H2,1-2H3.
What are the key properties of 5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile?
5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile has a molecular weight of 220.36 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 106174040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).