N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C16H22N2 — CID 112724141

IUPACN-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESc1cc2c(c(NC3=NCCCCC3)c1)CCCC2
InChIInChI=1S/C16H22N2/c1-2-11-16(17-12-5-1)18-15-10-6-8-13-7-3-4-9-14(13)15/h6,8,10H,1-5,7,9,11-12H2,(H,17,18)
InChIKeyXNVXSUBJZIBWOQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.95
Rot. Bonds1

About N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 112724141) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID112724141
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESc1cc2c(c(NC3=NCCCCC3)c1)CCCC2
InChIInChI=1S/C16H22N2/c1-2-11-16(17-12-5-1)18-15-10-6-8-13-7-3-4-9-14(13)15/h6,8,10H,1-5,7,9,11-12H2,(H,17,18)
InChIKeyXNVXSUBJZIBWOQ-UHFFFAOYSA-N
XLogP3.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 78909075
N-(2,6-dimethylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrobromide
CID 42917018
2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid
CID 115038877
N-(2,4-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508850
5-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 66218077
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylic acid
CID 79402435
cyclohexyl-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]methanone
CID 23460012
5-bromo-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
CID 80759991
5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 103583036
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527626

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 112724141) is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is c1cc2c(c(NC3=NCCCCC3)c1)CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is XNVXSUBJZIBWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-11-16(17-12-5-1)18-15-10-6-8-13-7-3-4-9-14(13)15/h6,8,10H,1-5,7,9,11-12H2,(H,17,18).
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 242.37 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 112724141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).