4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile

C14H27N3 — CID 63955060

IUPAC4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCN(CC)CC1CC1
InChIInChI=1S/C14H27N3/c1-4-9-16-14(3,12-15)8-10-17(5-2)11-13-6-7-13/h13,16H,4-11H2,1-3H3
InChIKeyXTLDGEJFNBWKAL-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds9

About 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile

4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile (PubChem CID 63955060) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
PubChem CID63955060
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCN(CC)CC1CC1
InChIInChI=1S/C14H27N3/c1-4-9-16-14(3,12-15)8-10-17(5-2)11-13-6-7-13/h13,16H,4-11H2,1-3H3
InChIKeyXTLDGEJFNBWKAL-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile
CID 55258249
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63955670
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 78977422
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 107401005
3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 63955665
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
CID 63955268
2-(cyclopropylmethylamino)-2-methylheptanenitrile
CID 80557594
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile
CID 106204201
2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 82749198
2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile?
The IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile (CID 63955060) is 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile?
The canonical SMILES for 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile is CCCNC(C)(C#N)CCN(CC)CC1CC1.
What is the InChIKey of 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile?
The InChIKey is XTLDGEJFNBWKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-9-16-14(3,12-15)8-10-17(5-2)11-13-6-7-13/h13,16H,4-11H2,1-3H3.
What are the key properties of 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile?
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile is sourced from PubChem (CID 63955060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).