2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile

C12H20N2 — CID 154025096

IUPAC2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile
SMILESCC(C)(C#N)N(CC1CC1)CC1CC1
InChIInChI=1S/C12H20N2/c1-12(2,9-13)14(7-10-3-4-10)8-11-5-6-11/h10-11H,3-8H2,1-2H3
InChIKeyGLSHNVTYXZJUOH-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.41
Rot. Bonds5

About 2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile

2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile (PubChem CID 154025096) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile
PubChem CID154025096
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile
SMILESCC(C)(C#N)N(CC1CC1)CC1CC1
InChIInChI=1S/C12H20N2/c1-12(2,9-13)14(7-10-3-4-10)8-11-5-6-11/h10-11H,3-8H2,1-2H3
InChIKeyGLSHNVTYXZJUOH-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Cyclopropylmethyl(methyl)amino]-2-methylpropanenitrile
CID 22731002
N,N-bis(cyclopropylmethyl)-2-methylpropan-2-amine
CID 57845840
3-[Tert-butyl(methyl)amino]-2-methylpropanenitrile
CID 82111214
3-[Tert-butyl(cyclopropyl)amino]propanenitrile
CID 89043693
3-[Methyl-(1-methylcyclopropyl)amino]propanenitrile
CID 89338946
2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile
CID 163729776
2-(Dibutylamino)-2-methylpropanenitrile
CID 21483393
3-[Cyclopropyl(ethyl)amino]-2-methylpropanenitrile
CID 43243305
3-[Cyclopropyl(propyl)amino]-2-methylpropanenitrile
CID 43270381
3-[Cyclopropylmethyl(methyl)amino]propanenitrile
CID 43560376
3-[Cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile
CID 60647765
4-[Cyclopropylmethyl(propyl)amino]butanenitrile
CID 60689301

Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile (CID 154025096) is 2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile is CC(C)(C#N)N(CC1CC1)CC1CC1.
What is the InChIKey of 2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile?
The InChIKey is GLSHNVTYXZJUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,9-13)14(7-10-3-4-10)8-11-5-6-11/h10-11H,3-8H2,1-2H3.
What are the key properties of 2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile?
2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile has a molecular weight of 192.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 154025096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).