2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine

C17H26N2 — CID 82768575

IUPAC2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine
SMILESCC1(CN2CCCCc3ccccc32)CCCC1N
InChIInChI=1S/C17H26N2/c1-17(11-6-10-16(17)18)13-19-12-5-4-8-14-7-2-3-9-15(14)19/h2-3,7,9,16H,4-6,8,10-13,18H2,1H3
InChIKeyJAEPXWJZXBHXTF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.35
Rot. Bonds2

About 2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine

2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine (PubChem CID 82768575) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine
PubChem CID82768575
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine
SMILESCC1(CN2CCCCc3ccccc32)CCCC1N
InChIInChI=1S/C17H26N2/c1-17(11-6-10-16(17)18)13-19-12-5-4-8-14-7-2-3-9-15(14)19/h2-3,7,9,16H,4-6,8,10-13,18H2,1H3
InChIKeyJAEPXWJZXBHXTF-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine (CID 82768575) is 2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine is CC1(CN2CCCCc3ccccc32)CCCC1N.
What is the InChIKey of 2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine?
The InChIKey is JAEPXWJZXBHXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(11-6-10-16(17)18)13-19-12-5-4-8-14-7-2-3-9-15(14)19/h2-3,7,9,16H,4-6,8,10-13,18H2,1H3.
What are the key properties of 2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine?
2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 82768575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).