[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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Related Compounds

[2-(3-methylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 60796225
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
CID 79521524
1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine
CID 60797130
[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dihydroinden-2-yl]methanamine
CID 63156873
[3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine
CID 80705344
(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148
[2-(3-ethylpiperidin-1-yl)-1,3-dihydroinden-2-yl]methanamine
CID 43809104
(1-pyrrolidin-1-ylcyclopropyl)methanamine
CID 106660987
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693
[3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 64745260
[4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine
CID 65085146
[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine
CID 82752059

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).