3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile

C18H35N3 — CID 107870923

IUPAC3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN(CCC(C)C)CCC(C)C)C1CC1
InChIInChI=1S/C18H35N3/c1-6-20-18(13-19,17-7-8-17)14-21(11-9-15(2)3)12-10-16(4)5/h15-17,20H,6-12,14H2,1-5H3
InChIKeyGUYMVOHDOCMRRI-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.66
Rot. Bonds11

About 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile

3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile (PubChem CID 107870923) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
PubChem CID107870923
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN(CCC(C)C)CCC(C)C)C1CC1
InChIInChI=1S/C18H35N3/c1-6-20-18(13-19,17-7-8-17)14-21(11-9-15(2)3)12-10-16(4)5/h15-17,20H,6-12,14H2,1-5H3
InChIKeyGUYMVOHDOCMRRI-UHFFFAOYSA-N
XLogP3.66
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913780
2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile
CID 63907930
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile
CID 63912235
4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 107870928
2-cyclopropyl-2-(ethylamino)-3-[methyl-(1-methylpiperidin-3-yl)amino]propanenitrile
CID 63914894
2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile
CID 63912025
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 107871619
3-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913794
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63914354
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63913568
2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile
CID 63907548
3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63913080

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile?
The IUPAC name of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile (CID 107870923) is 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile.
What is the SMILES notation for 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile?
The canonical SMILES for 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile is CCNC(C#N)(CN(CCC(C)C)CCC(C)C)C1CC1.
What is the InChIKey of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile?
The InChIKey is GUYMVOHDOCMRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-6-20-18(13-19,17-7-8-17)14-21(11-9-15(2)3)12-10-16(4)5/h15-17,20H,6-12,14H2,1-5H3.
What are the key properties of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile?
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile has a molecular weight of 293.50 g/mol, XLogP of 3.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile is sourced from PubChem (CID 107870923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).