4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile

C16H31N3 — CID 107401005

IUPAC4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N(CC)CC1CCC1
InChIInChI=1S/C16H31N3/c1-5-10-18-16(4,13-17)11-14(3)19(6-2)12-15-8-7-9-15/h14-15,18H,5-12H2,1-4H3
InChIKeySFBLDRPQMHVLPE-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.17
Rot. Bonds9

About 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile (PubChem CID 107401005) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
PubChem CID107401005
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N(CC)CC1CCC1
InChIInChI=1S/C16H31N3/c1-5-10-18-16(4,13-17)11-14(3)19(6-2)12-15-8-7-9-15/h14-15,18H,5-12H2,1-4H3
InChIKeySFBLDRPQMHVLPE-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64727667
4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727714
2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 64727327
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 79314860
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 63955060
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 64725508
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64705483
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 107402528
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile
CID 106204201

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile (CID 107401005) is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)N(CC)CC1CCC1.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
The InChIKey is SFBLDRPQMHVLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-10-18-16(4,13-17)11-14(3)19(6-2)12-15-8-7-9-15/h14-15,18H,5-12H2,1-4H3.
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile?
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 107401005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).