3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile

C15H20N2 — CID 103743400

IUPAC3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCC(C)C1(CNCc2cccc(C#N)c2)CC1
InChIInChI=1S/C15H20N2/c1-12(2)15(6-7-15)11-17-10-14-5-3-4-13(8-14)9-16/h3-5,8,12,17H,6-7,10-11H2,1-2H3
InChIKeyYVWIWUSNVXLUQF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.08
Rot. Bonds5

About 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile

3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile (PubChem CID 103743400) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile
PubChem CID103743400
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCC(C)C1(CNCc2cccc(C#N)c2)CC1
InChIInChI=1S/C15H20N2/c1-12(2)15(6-7-15)11-17-10-14-5-3-4-13(8-14)9-16/h3-5,8,12,17H,6-7,10-11H2,1-2H3
InChIKeyYVWIWUSNVXLUQF-UHFFFAOYSA-N
XLogP3.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
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3-[(2-aminoethylamino)methyl]benzonitrile
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3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
3-[(2,2-dimethylpropylamino)methyl]benzonitrile
CID 61166413
3-[[(3,4-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54936274
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
3-[[2-(2-methylpropoxy)ethylamino]methyl]benzonitrile
CID 113224473
3-[(1,1-difluoropropan-2-ylamino)methyl]benzonitrile
CID 102869098
3-[[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]methyl]benzonitrile
CID 119122330
3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]benzonitrile
CID 47627698

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile (CID 103743400) is 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile is CC(C)C1(CNCc2cccc(C#N)c2)CC1.
What is the InChIKey of 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile?
The InChIKey is YVWIWUSNVXLUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(2)15(6-7-15)11-17-10-14-5-3-4-13(8-14)9-16/h3-5,8,12,17H,6-7,10-11H2,1-2H3.
What are the key properties of 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile?
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 103743400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).