3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile

C17H25N3 — CID 63955663

IUPAC3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile
SMILESCCNC(C#N)(CN(CC)CC1CC1)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-19-17(13-18,16-8-6-5-7-9-16)14-20(4-2)12-15-10-11-15/h5-9,15,19H,3-4,10-12,14H2,1-2H3
InChIKeyIOHUUMHQZFTLAO-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.75
Rot. Bonds8

About 3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile

3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile (PubChem CID 63955663) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile
PubChem CID63955663
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile
SMILESCCNC(C#N)(CN(CC)CC1CC1)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-19-17(13-18,16-8-6-5-7-9-16)14-20(4-2)12-15-10-11-15/h5-9,15,19H,3-4,10-12,14H2,1-2H3
InChIKeyIOHUUMHQZFTLAO-UHFFFAOYSA-N
XLogP2.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 63955665
1-[cyclopropylmethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 63956044
3-(cyclopentylmethylsulfanyl)-2-(ethylamino)-2-phenylpropanenitrile
CID 63120185
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
CID 55041215
2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692501
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484
N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 63954461
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-4-methylsulfanyl-2-phenylbutanenitrile
CID 116693238
2-(ethylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanenitrile
CID 116693325
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692504

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile?
The IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile (CID 63955663) is 3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile?
The canonical SMILES for 3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile is CCNC(C#N)(CN(CC)CC1CC1)c1ccccc1.
What is the InChIKey of 3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile?
The InChIKey is IOHUUMHQZFTLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-19-17(13-18,16-8-6-5-7-9-16)14-20(4-2)12-15-10-11-15/h5-9,15,19H,3-4,10-12,14H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile?
3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile has a molecular weight of 271.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile is sourced from PubChem (CID 63955663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).