[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine

C18H28N2 — CID 63154951

IUPAC[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
SMILESCC1CCCCC1(CN)N1CCCc2ccccc2C1
InChIInChI=1S/C18H28N2/c1-15-7-4-5-11-18(15,14-19)20-12-6-10-16-8-2-3-9-17(16)13-20/h2-3,8-9,15H,4-7,10-14,19H2,1H3
InChIKeyHAEXKLBJIKWHGK-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.34
Rot. Bonds2

About [2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine

[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine (PubChem CID 63154951) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
PubChem CID63154951
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
SMILESCC1CCCCC1(CN)N1CCCc2ccccc2C1
InChIInChI=1S/C18H28N2/c1-15-7-4-5-11-18(15,14-19)20-12-6-10-16-8-2-3-9-17(16)13-20/h2-3,8-9,15H,4-7,10-14,19H2,1H3
InChIKeyHAEXKLBJIKWHGK-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine?
The IUPAC name of [2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine (CID 63154951) is [2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine is CC1CCCCC1(CN)N1CCCc2ccccc2C1.
What is the InChIKey of [2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine?
The InChIKey is HAEXKLBJIKWHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-7-4-5-11-18(15,14-19)20-12-6-10-16-8-2-3-9-17(16)13-20/h2-3,8-9,15H,4-7,10-14,19H2,1H3.
What are the key properties of [2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine?
[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine has a molecular weight of 272.44 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 63154951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).