1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine

C18H28N2 — CID 64682905

IUPAC1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCN2CCCc3ccccc3C2)CCCCC1
InChIInChI=1S/C18H28N2/c19-18(10-4-1-5-11-18)12-14-20-13-6-9-16-7-2-3-8-17(16)15-20/h2-3,7-8H,1,4-6,9-15,19H2
InChIKeyCAGJOMQTYWBKGQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.49
Rot. Bonds3

About 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine

1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 64682905) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine
PubChem CID64682905
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCN2CCCc3ccccc3C2)CCCCC1
InChIInChI=1S/C18H28N2/c19-18(10-4-1-5-11-18)12-14-20-13-6-9-16-7-2-3-8-17(16)15-20/h2-3,7-8H,1,4-6,9-15,19H2
InChIKeyCAGJOMQTYWBKGQ-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine (CID 64682905) is 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine is NC1(CCN2CCCc3ccccc3C2)CCCCC1.
What is the InChIKey of 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is CAGJOMQTYWBKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c19-18(10-4-1-5-11-18)12-14-20-13-6-9-16-7-2-3-8-17(16)15-20/h2-3,7-8H,1,4-6,9-15,19H2.
What are the key properties of 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine?
1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64682905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).