3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile

C16H29N3 — CID 63681653

IUPAC3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C#N)CN(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29N3/c1-4-7-18-16(2,11-17)12-19(3)10-15-9-13-5-6-14(15)8-13/h13-15,18H,4-10,12H2,1-3H3
InChIKeyCIHPCKWXTZOFNX-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.64
Rot. Bonds7

About 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile (PubChem CID 63681653) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile
PubChem CID63681653
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C#N)CN(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29N3/c1-4-7-18-16(2,11-17)12-19(3)10-15-9-13-5-6-14(15)8-13/h13-15,18H,4-10,12H2,1-3H3
InChIKeyCIHPCKWXTZOFNX-UHFFFAOYSA-N
XLogP2.64
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.64
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
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 63682697
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727728
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 79315856
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267300
2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile
CID 55258249
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
CID 55231633
2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
CID 106803671
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63683736
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-N'-propylethane-1,2-diamine
CID 79551627

Frequently Asked Questions

What is the IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile?
The IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile (CID 63681653) is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile?
The canonical SMILES for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile is CCCNC(C)(C#N)CN(C)CC1CC2CCC1C2.
What is the InChIKey of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile?
The InChIKey is CIHPCKWXTZOFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-7-18-16(2,11-17)12-19(3)10-15-9-13-5-6-14(15)8-13/h13-15,18H,4-10,12H2,1-3H3.
What are the key properties of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile?
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile has a molecular weight of 263.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile is sourced from PubChem (CID 63681653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).