5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile

C16H29N3 — CID 106803113

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile
SMILESCCC(N)(C#N)CCCN1CCCC2CCCCC21
InChIInChI=1S/C16H29N3/c1-2-16(18,13-17)10-6-12-19-11-5-8-14-7-3-4-9-15(14)19/h14-15H,2-12,18H2,1H3
InChIKeyNSEOJRBIHNZDPH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.05
Rot. Bonds5

About 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile (PubChem CID 106803113) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile
PubChem CID106803113
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile
SMILESCCC(N)(C#N)CCCN1CCCC2CCCCC21
InChIInChI=1S/C16H29N3/c1-2-16(18,13-17)10-6-12-19-11-5-8-14-7-3-4-9-15(14)19/h14-15H,2-12,18H2,1H3
InChIKeyNSEOJRBIHNZDPH-UHFFFAOYSA-N
XLogP3.05
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile with MolForge

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Launch Full Analysis

Related Compounds

5-Methyl-5-azabicyclo[4.4.0]dec-2-ylamine
CID 4912809
trans-Octahydroquinoline-8a-carbonitrile
CID 129706158
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-8-carbonitrile
CID 20440945
1-(2'-Cyanoethyl)-2,2,4-trimethyl decahydroquinoline
CID 20543100
9-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-7,7-dimethylnonanenitrile
CID 20543109
5-(2-Ethyl-2,4-dihexyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)pentanenitrile
CID 20543111
3-(2,2,4,6-Tetramethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)propanenitrile
CID 20543115
9-(4-Ethyl-2,2,3-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)nonanenitrile
CID 20543118
9-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,10-dimethylundecan-3-amine
CID 20543131
9-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-7,7-diethylundecanenitrile
CID 20543141
(4aR,8S,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-8-carbonitrile
CID 22828507
2-[(1R,2S)-2-[(1-methylpiperidin-4-yl)amino]cyclohexyl]acetonitrile
CID 59025453

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile (CID 106803113) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile is CCC(N)(C#N)CCCN1CCCC2CCCCC21.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile?
The InChIKey is NSEOJRBIHNZDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-2-16(18,13-17)10-6-12-19-11-5-8-14-7-3-4-9-15(14)19/h14-15H,2-12,18H2,1H3.
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile?
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile has a molecular weight of 263.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile is sourced from PubChem (CID 106803113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).