5-(cycloheptylamino)-2,2-dimethylpentanenitrile

C14H26N2 — CID 65254456

IUPAC5-(cycloheptylamino)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNC1CCCCCC1
InChIInChI=1S/C14H26N2/c1-14(2,12-15)10-7-11-16-13-8-5-3-4-6-9-13/h13,16H,3-11H2,1-2H3
InChIKeyGLYRMRYCRLBHOB-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.63
Rot. Bonds5

About 5-(cycloheptylamino)-2,2-dimethylpentanenitrile

5-(cycloheptylamino)-2,2-dimethylpentanenitrile (PubChem CID 65254456) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-(cycloheptylamino)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(cycloheptylamino)-2,2-dimethylpentanenitrile
PubChem CID65254456
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-(cycloheptylamino)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNC1CCCCCC1
InChIInChI=1S/C14H26N2/c1-14(2,12-15)10-7-11-16-13-8-5-3-4-6-9-13/h13,16H,3-11H2,1-2H3
InChIKeyGLYRMRYCRLBHOB-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303
3-[(5-cyano-5-methylhexyl)amino]cyclohexane-1-carboxylic acid
CID 106713203
N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848
2,2-dimethyl-5-[(6-oxopiperidin-3-yl)amino]pentanenitrile
CID 65254440
2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile
CID 79358554
6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile
CID 114117991
6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
CID 106709498
2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile
CID 65254531
2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile
CID 106708901
5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
CID 65257781
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2,2-dimethylhexanenitrile
CID 106709210
N-(3-fluoro-3-methylbutyl)cyclohexanamine
CID 84661119

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(cycloheptylamino)-2,2-dimethylpentanenitrile (CID 65254456) is 5-(cycloheptylamino)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(cycloheptylamino)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(cycloheptylamino)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCNC1CCCCCC1.
What is the InChIKey of 5-(cycloheptylamino)-2,2-dimethylpentanenitrile?
The InChIKey is GLYRMRYCRLBHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-14(2,12-15)10-7-11-16-13-8-5-3-4-6-9-13/h13,16H,3-11H2,1-2H3.
What are the key properties of 5-(cycloheptylamino)-2,2-dimethylpentanenitrile?
5-(cycloheptylamino)-2,2-dimethylpentanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65254456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).