2-(azocan-1-yl)-1-naphthalen-2-ylethanamine

C19H26N2 — CID 43097660

IUPAC2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
SMILESNC(CN1CCCCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C19H26N2/c20-19(15-21-12-6-2-1-3-7-13-21)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14,19H,1-3,6-7,12-13,15,20H2
InChIKeyJCSQTKURBGUTBK-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.11
Rot. Bonds3

About 2-(azocan-1-yl)-1-naphthalen-2-ylethanamine

2-(azocan-1-yl)-1-naphthalen-2-ylethanamine (PubChem CID 43097660) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(azocan-1-yl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
PubChem CID43097660
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
SMILESNC(CN1CCCCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C19H26N2/c20-19(15-21-12-6-2-1-3-7-13-21)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14,19H,1-3,6-7,12-13,15,20H2
InChIKeyJCSQTKURBGUTBK-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-2-naphthalen-2-ylethyl)piperidine
CID 82214628
2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
CID 61224802
3-(1-amino-2-piperidin-1-ylethyl)phenol
CID 117242599
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
CID 103532357
2-(2,2-dimethylmorpholin-4-yl)-1-naphthalen-2-ylethanamine
CID 43592754
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571
1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine
CID 89258833
2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 142799873
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(azocan-1-yl)-1-naphthalen-2-ylethanamine (CID 43097660) is 2-(azocan-1-yl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(azocan-1-yl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(azocan-1-yl)-1-naphthalen-2-ylethanamine is NC(CN1CCCCCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(azocan-1-yl)-1-naphthalen-2-ylethanamine?
The InChIKey is JCSQTKURBGUTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c20-19(15-21-12-6-2-1-3-7-13-21)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14,19H,1-3,6-7,12-13,15,20H2.
What are the key properties of 2-(azocan-1-yl)-1-naphthalen-2-ylethanamine?
2-(azocan-1-yl)-1-naphthalen-2-ylethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 43097660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).