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

C16H22N2 — CID 97170591

IUPACN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESc1ccc2c(c1)CCC[C@@H]2NC1=NCCCCC1
InChIInChI=1S/C16H22N2/c1-2-11-16(17-12-5-1)18-15-10-6-8-13-7-3-4-9-14(13)15/h3-4,7,9,15H,1-2,5-6,8,10-12H2,(H,17,18)/t15-/m0/s1
InChIKeyIZMGNSJTHGZIRM-HNNXBMFYSA-N
MW242.37 g/mol
LogP3.63
Rot. Bonds1

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

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 97170591) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID97170591
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESc1ccc2c(c1)CCC[C@@H]2NC1=NCCCCC1
InChIInChI=1S/C16H22N2/c1-2-11-16(17-12-5-1)18-15-10-6-8-13-7-3-4-9-14(13)15/h3-4,7,9,15H,1-2,5-6,8,10-12H2,(H,17,18)/t15-/m0/s1
InChIKeyIZMGNSJTHGZIRM-HNNXBMFYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine with MolForge

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Related Compounds

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123116
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79504361
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
3-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62734178
5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62304263
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429
3-N,3-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 115375952
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 60673860
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 97170591) is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is c1ccc2c(c1)CCC[C@@H]2NC1=NCCCCC1.
What is the InChIKey of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is IZMGNSJTHGZIRM-HNNXBMFYSA-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/h3-4,7,9,15H,1-2,5-6,8,10-12H2,(H,17,18)/t15-/m0/s1.
What are the key properties of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 242.37 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 97170591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).