5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile

C11H20N2 — CID 115652002

IUPAC5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCC1CC1
InChIInChI=1S/C11H20N2/c1-11(2,6-3-7-12)9-13-8-10-4-5-10/h10,13H,3-6,8-9H2,1-2H3
InChIKeyGALBAFWFHGBQJU-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.32
Rot. Bonds6

About 5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile

5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile (PubChem CID 115652002) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile
PubChem CID115652002
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCC1CC1
InChIInChI=1S/C11H20N2/c1-11(2,6-3-7-12)9-13-8-10-4-5-10/h10,13H,3-6,8-9H2,1-2H3
InChIKeyGALBAFWFHGBQJU-UHFFFAOYSA-N
XLogP2.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclopentylamino)-4,4-dimethylpentanenitrile
CID 115910566
5-(cyclohexylamino)-4,4-dimethylpentanenitrile
CID 115651344
5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile
CID 115651171
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-4,4-dimethylpentanenitrile
CID 115653464
4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile
CID 115653658
4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile
CID 115652659
4,4-dimethyl-5-(pent-3-ynylamino)pentanenitrile
CID 116642917
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile
CID 115652692
4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile
CID 115651726
5-(5-methoxypentylamino)-4,4-dimethylpentanenitrile
CID 115653005
5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-dimethylpentanenitrile
CID 107851048

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile?
The IUPAC name of 5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile (CID 115652002) is 5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNCC1CC1.
What is the InChIKey of 5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile?
The InChIKey is GALBAFWFHGBQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(2,6-3-7-12)9-13-8-10-4-5-10/h10,13H,3-6,8-9H2,1-2H3.
What are the key properties of 5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile?
5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115652002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).