2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile

C18H25N3 — CID 63865033

IUPAC2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile
SMILESCC1CC1CN(C)CC(C#N)(NC1CC1)c1ccccc1
InChIInChI=1S/C18H25N3/c1-14-10-15(14)11-21(2)13-18(12-19,20-17-8-9-17)16-6-4-3-5-7-16/h3-7,14-15,17,20H,8-11,13H2,1-2H3
InChIKeyUJFACGDZURSQBZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.75
Rot. Bonds7

About 2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile

2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile (PubChem CID 63865033) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile
PubChem CID63865033
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile
SMILESCC1CC1CN(C)CC(C#N)(NC1CC1)c1ccccc1
InChIInChI=1S/C18H25N3/c1-14-10-15(14)11-21(2)13-18(12-19,20-17-8-9-17)16-6-4-3-5-7-16/h3-7,14-15,17,20H,8-11,13H2,1-2H3
InChIKeyUJFACGDZURSQBZ-UHFFFAOYSA-N
XLogP2.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile (CID 63865033) is 2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile is CC1CC1CN(C)CC(C#N)(NC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile?
The InChIKey is UJFACGDZURSQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-10-15(14)11-21(2)13-18(12-19,20-17-8-9-17)16-6-4-3-5-7-16/h3-7,14-15,17,20H,8-11,13H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile?
2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile has a molecular weight of 283.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile is sourced from PubChem (CID 63865033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).