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

C19H30N2 — CID 65085146

IUPAC[4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine
SMILESCC1CCCC(CN)(N2CCCc3ccccc3C2)CC1
InChIInChI=1S/C19H30N2/c1-16-6-4-11-19(15-20,12-10-16)21-13-5-9-17-7-2-3-8-18(17)14-21/h2-3,7-8,16H,4-6,9-15,20H2,1H3
InChIKeyKMTLRKGFAIZNIZ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.73
Rot. Bonds2

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

[4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine (PubChem CID 65085146) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is [4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine
PubChem CID65085146
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name[4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine
SMILESCC1CCCC(CN)(N2CCCc3ccccc3C2)CC1
InChIInChI=1S/C19H30N2/c1-16-6-4-11-19(15-20,12-10-16)21-13-5-9-17-7-2-3-8-18(17)14-21/h2-3,7-8,16H,4-6,9-15,20H2,1H3
InChIKeyKMTLRKGFAIZNIZ-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 64745260
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine
CID 65087911
[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 63154951
[2-(3-methylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 60796225
[3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine
CID 106822042
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
CID 79521524
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 65084940
[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62704480
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methylcyclohexyl]methanamine
CID 43185272

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine?
The IUPAC name of [4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine (CID 65085146) is [4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine.
What is the SMILES notation for [4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine?
The canonical SMILES for [4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine is CC1CCCC(CN)(N2CCCc3ccccc3C2)CC1.
What is the InChIKey of [4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine?
The InChIKey is KMTLRKGFAIZNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-6-4-11-19(15-20,12-10-16)21-13-5-9-17-7-2-3-8-18(17)14-21/h2-3,7-8,16H,4-6,9-15,20H2,1H3.
What are the key properties of [4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine?
[4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine has a molecular weight of 286.46 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine is sourced from PubChem (CID 65085146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).