[2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

C17H26N2 — CID 54918791

IUPAC[2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESNCC1(N2CCCCCC2)CCc2ccccc2C1
InChIInChI=1S/C17H26N2/c18-14-17(19-11-5-1-2-6-12-19)10-9-15-7-3-4-8-16(15)13-17/h3-4,7-8H,1-2,5-6,9-14,18H2
InChIKeyRCEPBJCQHGRBCE-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.75
Rot. Bonds2

About [2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

[2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 54918791) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID54918791
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name[2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESNCC1(N2CCCCCC2)CCc2ccccc2C1
InChIInChI=1S/C17H26N2/c18-14-17(19-11-5-1-2-6-12-19)10-9-15-7-3-4-8-16(15)13-17/h3-4,7-8H,1-2,5-6,9-14,18H2
InChIKeyRCEPBJCQHGRBCE-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.75
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)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 54918791) is [2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is NCC1(N2CCCCCC2)CCc2ccccc2C1.
What is the InChIKey of [2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is RCEPBJCQHGRBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-14-17(19-11-5-1-2-6-12-19)10-9-15-7-3-4-8-16(15)13-17/h3-4,7-8H,1-2,5-6,9-14,18H2.
What are the key properties of [2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 258.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 54918791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).