2-(cyclopropylmethylamino)-2-propylpentanenitrile

C12H22N2 — CID 60996496

IUPAC2-(cyclopropylmethylamino)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)NCC1CC1
InChIInChI=1S/C12H22N2/c1-3-7-12(10-13,8-4-2)14-9-11-5-6-11/h11,14H,3-9H2,1-2H3
InChIKeyFSMNSDJHCORVDH-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.85
Rot. Bonds7

About 2-(cyclopropylmethylamino)-2-propylpentanenitrile

2-(cyclopropylmethylamino)-2-propylpentanenitrile (PubChem CID 60996496) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-propylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-propylpentanenitrile
PubChem CID60996496
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-(cyclopropylmethylamino)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)NCC1CC1
InChIInChI=1S/C12H22N2/c1-3-7-12(10-13,8-4-2)14-9-11-5-6-11/h11,14H,3-9H2,1-2H3
InChIKeyFSMNSDJHCORVDH-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-propylpentanenitrile
CID 28899821
2-propyl-2-(propylamino)pentanenitrile
CID 28900772
2-(cyclopropylmethylamino)-2-methylheptanenitrile
CID 80557594
2-(cyclopropylmethylamino)-2-methylpropanenitrile
CID 60995083
2-cyclopropyl-2-(cyclopropylmethylamino)propanenitrile
CID 60996499
2-(cyclopropylmethylamino)-2-methylpentanamide
CID 55026560
2-methyl-2-(oxan-4-ylmethylamino)propanenitrile
CID 115129369
2-(cyclopentylmethylamino)-2-methylpentan-1-ol
CID 115882646
5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
2-ethyl-5-[4-(methoxymethyl)piperidin-1-yl]-2-(propylamino)pentanenitrile
CID 106803718
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile
CID 104587106

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-propylpentanenitrile?
The IUPAC name of 2-(cyclopropylmethylamino)-2-propylpentanenitrile (CID 60996496) is 2-(cyclopropylmethylamino)-2-propylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-propylpentanenitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-propylpentanenitrile is CCCC(C#N)(CCC)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-propylpentanenitrile?
The InChIKey is FSMNSDJHCORVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-7-12(10-13,8-4-2)14-9-11-5-6-11/h11,14H,3-9H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-propylpentanenitrile?
2-(cyclopropylmethylamino)-2-propylpentanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-propylpentanenitrile is sourced from PubChem (CID 60996496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).