4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile

C17H31N3 — CID 64727728

IUPAC4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H31N3/c1-5-19-17(3,12-18)10-13(2)20(4)11-16-9-14-6-7-15(16)8-14/h13-16,19H,5-11H2,1-4H3
InChIKeyANUNVFMZKQIHIJ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.02
Rot. Bonds7

About 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 64727728) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
PubChem CID64727728
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H31N3/c1-5-19-17(3,12-18)10-13(2)20(4)11-16-9-14-6-7-15(16)8-14/h13-16,19H,5-11H2,1-4H3
InChIKeyANUNVFMZKQIHIJ-UHFFFAOYSA-N
XLogP3.02
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 63683776
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile
CID 63681653
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
CID 63682552
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 63682697
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63681872
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726891
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 63681876
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
CID 55231633
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 105416581
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 64725508
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79858456

Frequently Asked Questions

What is the IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile (CID 64727728) is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)N(C)CC1CC2CCC1C2.
What is the InChIKey of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is ANUNVFMZKQIHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-19-17(3,12-18)10-13(2)20(4)11-16-9-14-6-7-15(16)8-14/h13-16,19H,5-11H2,1-4H3.
What are the key properties of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 277.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 64727728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).