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

C18H24N2 — CID 43180381

IUPAC2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
SMILESNCC(c1cccc2ccccc12)N1CCCCCC1
InChIInChI=1S/C18H24N2/c19-14-18(20-12-5-1-2-6-13-20)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,18H,1-2,5-6,12-14,19H2
InChIKeyNDHYEELIZDXADA-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.72
Rot. Bonds3

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

2-(azepan-1-yl)-2-naphthalen-1-ylethanamine (PubChem CID 43180381) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
PubChem CID43180381
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
SMILESNCC(c1cccc2ccccc12)N1CCCCCC1
InChIInChI=1S/C18H24N2/c19-14-18(20-12-5-1-2-6-13-20)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,18H,1-2,5-6,12-14,19H2
InChIKeyNDHYEELIZDXADA-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 2-(azepan-1-yl)-2-naphthalen-1-ylethanamine (CID 43180381) is 2-(azepan-1-yl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(azepan-1-yl)-2-naphthalen-1-ylethanamine is NCC(c1cccc2ccccc12)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-naphthalen-1-ylethanamine?
The InChIKey is NDHYEELIZDXADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c19-14-18(20-12-5-1-2-6-13-20)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,18H,1-2,5-6,12-14,19H2.
What are the key properties of 2-(azepan-1-yl)-2-naphthalen-1-ylethanamine?
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 43180381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).