5-(cyclopropylamino)-2,2-dimethylpentanenitrile

C10H18N2 — CID 65256303

IUPAC5-(cyclopropylamino)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNC1CC1
InChIInChI=1S/C10H18N2/c1-10(2,8-11)6-3-7-12-9-4-5-9/h9,12H,3-7H2,1-2H3
InChIKeyJGFSYGLKBATSKD-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds5

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

5-(cyclopropylamino)-2,2-dimethylpentanenitrile (PubChem CID 65256303) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(cyclopropylamino)-2,2-dimethylpentanenitrile
PubChem CID65256303
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-(cyclopropylamino)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNC1CC1
InChIInChI=1S/C10H18N2/c1-10(2,8-11)6-3-7-12-9-4-5-9/h9,12H,3-7H2,1-2H3
InChIKeyJGFSYGLKBATSKD-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
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-(cycloheptylamino)-2,2-dimethylpentanenitrile
CID 65254456
6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile
CID 114117991
2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile
CID 106708901
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
3-[(5-cyano-5-methylhexyl)amino]cyclohexane-1-carboxylic acid
CID 106713203
2,2-dimethyl-4-(thiolan-3-ylamino)butanenitrile
CID 103062807
2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile
CID 65253736
6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile
CID 106709376
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
5-[(4-hydroxycyclohexyl)methylamino]-2,2-dimethylpentanenitrile
CID 114147881
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(cyclopropylamino)-2,2-dimethylpentanenitrile (CID 65256303) is 5-(cyclopropylamino)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(cyclopropylamino)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(cyclopropylamino)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCNC1CC1.
What is the InChIKey of 5-(cyclopropylamino)-2,2-dimethylpentanenitrile?
The InChIKey is JGFSYGLKBATSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,8-11)6-3-7-12-9-4-5-9/h9,12H,3-7H2,1-2H3.
What are the key properties of 5-(cyclopropylamino)-2,2-dimethylpentanenitrile?
5-(cyclopropylamino)-2,2-dimethylpentanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65256303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).