2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C19H30N2 — CID 115418831

IUPAC2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2C(C)CC1N1CCCCCCC1
InChIInChI=1S/C19H30N2/c1-15-14-18(21-12-8-4-3-5-9-13-21)19(20-2)17-11-7-6-10-16(15)17/h6-7,10-11,15,18-20H,3-5,8-9,12-14H2,1-2H3
InChIKeySYIZWFPRKMCXLR-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.09
Rot. Bonds2

About 2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418831) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418831
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2C(C)CC1N1CCCCCCC1
InChIInChI=1S/C19H30N2/c1-15-14-18(21-12-8-4-3-5-9-13-21)19(20-2)17-11-7-6-10-16(15)17/h6-7,10-11,15,18-20H,3-5,8-9,12-14H2,1-2H3
InChIKeySYIZWFPRKMCXLR-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418831) is 2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2C(C)CC1N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SYIZWFPRKMCXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-14-18(21-12-8-4-3-5-9-13-21)19(20-2)17-11-7-6-10-16(15)17/h6-7,10-11,15,18-20H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).