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

C19H30N2 — CID 64745260

IUPAC[3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(N2CCCc3ccccc3C2)CC1C
InChIInChI=1S/C19H30N2/c1-15-9-10-19(14-20,12-16(15)2)21-11-5-8-17-6-3-4-7-18(17)13-21/h3-4,6-7,15-16H,5,8-14,20H2,1-2H3
InChIKeyTVNSDTMEQCPXOK-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.59
Rot. Bonds2

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

[3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine (PubChem CID 64745260) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is [3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
PubChem CID64745260
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name[3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(N2CCCc3ccccc3C2)CC1C
InChIInChI=1S/C19H30N2/c1-15-9-10-19(14-20,12-16(15)2)21-11-5-8-17-6-3-4-7-18(17)13-21/h3-4,6-7,15-16H,5,8-14,20H2,1-2H3
InChIKeyTVNSDTMEQCPXOK-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 [3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine?
The IUPAC name of [3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine (CID 64745260) is [3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine is CC1CCC(CN)(N2CCCc3ccccc3C2)CC1C.
What is the InChIKey of [3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine?
The InChIKey is TVNSDTMEQCPXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-9-10-19(14-20,12-16(15)2)21-11-5-8-17-6-3-4-7-18(17)13-21/h3-4,6-7,15-16H,5,8-14,20H2,1-2H3.
What are the key properties of [3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine?
[3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine 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 [3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 64745260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).