4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile

C14H27N3 — CID 64727714

IUPAC4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)CC1CCC1
InChIInChI=1S/C14H27N3/c1-5-16-14(3,11-15)9-12(2)17(4)10-13-7-6-8-13/h12-13,16H,5-10H2,1-4H3
InChIKeyMJSMCLUOBNQKLA-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds7

About 4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile

4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 64727714) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
PubChem CID64727714
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)CC1CCC1
InChIInChI=1S/C14H27N3/c1-5-16-14(3,11-15)9-12(2)17(4)10-13-7-6-8-13/h12-13,16H,5-10H2,1-4H3
InChIKeyMJSMCLUOBNQKLA-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 64725508
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727728
2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 64727327
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 107401005
2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
CID 64727501
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 105416581
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726891
2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 79314860
5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile
CID 64726878

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile (CID 64727714) is 4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)N(C)CC1CCC1.
What is the InChIKey of 4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is MJSMCLUOBNQKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-16-14(3,11-15)9-12(2)17(4)10-13-7-6-8-13/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 64727714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).