2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile

C10H16N2 — CID 60996499

IUPAC2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile
SMILESCC(C#N)(NCC1CC1)C1CC1
InChIInChI=1S/C10H16N2/c1-10(7-11,9-4-5-9)12-6-8-2-3-8/h8-9,12H,2-6H2,1H3
InChIKeyPVMSAWAJSHSUAS-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.68
Rot. Bonds4

About 2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile

2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile (PubChem CID 60996499) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile
PubChem CID60996499
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile
SMILESCC(C#N)(NCC1CC1)C1CC1
InChIInChI=1S/C10H16N2/c1-10(7-11,9-4-5-9)12-6-8-2-3-8/h8-9,12H,2-6H2,1H3
InChIKeyPVMSAWAJSHSUAS-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopropyl-2-(methylamino)propanenitrile
CID 43114993
2-Cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile
CID 60999125
2,2-Dimethyl-1-(propan-2-ylamino)cyclopropane-1-carbonitrile
CID 12867685
2-(Tert-butylamino)-4-methylpentanenitrile
CID 20825462
2-Cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 43151533
2,4-Dimethyl-2-(propan-2-ylamino)pentanenitrile
CID 43151541
2-Cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 43151653
2-(Cyclopropylamino)-4-methylpentanenitrile
CID 43151716
2-Cyclopropylamino-4-methyl-pentanenitrile hydrochloride
CID 57495604
Cyclopropyl-cyclopropylamino-acetonitrile
CID 57495608
2,3-Dimethyl-2-(propan-2-ylamino)pentanenitrile
CID 60915967
2-Methyl-2-(2-methylpropylamino)pentanenitrile
CID 61004901

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile (CID 60996499) is 2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile is CC(C#N)(NCC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile?
The InChIKey is PVMSAWAJSHSUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(7-11,9-4-5-9)12-6-8-2-3-8/h8-9,12H,2-6H2,1H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile?
2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile has a molecular weight of 164.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile is sourced from PubChem (CID 60996499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).