2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine

C19H30N2 — CID 79843277

IUPAC2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCC(CN2CCCc3ccccc3C2)C1N
InChIInChI=1S/C19H30N2/c1-19(2)11-5-9-17(18(19)20)14-21-12-6-10-15-7-3-4-8-16(15)13-21/h3-4,7-8,17-18H,5-6,9-14,20H2,1-2H3
InChIKeyXKJBQOSWVVEBCI-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.59
Rot. Bonds2

About 2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine

2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 79843277) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine
PubChem CID79843277
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCC(CN2CCCc3ccccc3C2)C1N
InChIInChI=1S/C19H30N2/c1-19(2)11-5-9-17(18(19)20)14-21-12-6-10-15-7-3-4-8-16(15)13-21/h3-4,7-8,17-18H,5-6,9-14,20H2,1-2H3
InChIKeyXKJBQOSWVVEBCI-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine (CID 79843277) is 2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine is CC1(C)CCCC(CN2CCCc3ccccc3C2)C1N.
What is the InChIKey of 2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is XKJBQOSWVVEBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-19(2)11-5-9-17(18(19)20)14-21-12-6-10-15-7-3-4-8-16(15)13-21/h3-4,7-8,17-18H,5-6,9-14,20H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine?
2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 79843277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).