2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile

C16H29N3 — CID 106803671

IUPAC2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
SMILESCCC(N)(C#N)CCCN(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29N3/c1-3-16(18,12-17)7-4-8-19(2)11-15-10-13-5-6-14(15)9-13/h13-15H,3-11,18H2,1-2H3
InChIKeyYCJRYCOUNKDGIT-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.77
Rot. Bonds7

About 2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile

2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile (PubChem CID 106803671) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile.

Molecular Properties

Compound Name2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
PubChem CID106803671
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
SMILESCCC(N)(C#N)CCCN(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29N3/c1-3-16(18,12-17)7-4-8-19(2)11-15-10-13-5-6-14(15)9-13/h13-15H,3-11,18H2,1-2H3
InChIKeyYCJRYCOUNKDGIT-UHFFFAOYSA-N
XLogP2.77
TPSA53.05 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 ≤ 52.77
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
2-amino-2-ethyl-5-[ethyl(methyl)amino]pentanenitrile
CID 106802962
2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
CID 106803889
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710901
2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile
CID 63681653
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267300
2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
CID 106803370
methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate
CID 63682513
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine
CID 79554083

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile?
The IUPAC name of 2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile (CID 106803671) is 2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile.
What is the SMILES notation for 2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile?
The canonical SMILES for 2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile is CCC(N)(C#N)CCCN(C)CC1CC2CCC1C2.
What is the InChIKey of 2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile?
The InChIKey is YCJRYCOUNKDGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-16(18,12-17)7-4-8-19(2)11-15-10-13-5-6-14(15)9-13/h13-15H,3-11,18H2,1-2H3.
What are the key properties of 2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile?
2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile has a molecular weight of 263.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile is sourced from PubChem (CID 106803671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).