3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine

C11H16N2 — CID 156794150

IUPAC3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine
SMILESCC1(N)C=CC2=C(CCCC2)N=C1
InChIInChI=1S/C11H16N2/c1-11(12)7-6-9-4-2-3-5-10(9)13-8-11/h6-8H,2-5,12H2,1H3
InChIKeyXCFHSJYUEXTHGP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.17
Rot. Bonds

About 3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine

3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine (PubChem CID 156794150) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine.

Molecular Properties

Compound Name3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine
PubChem CID156794150
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine
SMILESCC1(N)C=CC2=C(CCCC2)N=C1
InChIInChI=1S/C11H16N2/c1-11(12)7-6-9-4-2-3-5-10(9)13-8-11/h6-8H,2-5,12H2,1H3
InChIKeyXCFHSJYUEXTHGP-UHFFFAOYSA-N
XLogP2.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine
CID 66582212
N-(1-imino-2-methylpropan-2-yl)-4-pent-4-enylcyclohexa-1,3-dien-1-amine
CID 89718509
3,3-Dimethyl-6,7,8,9-tetrahydro-1-benzazepine
CID 123861063
(4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine
CID 123953591
ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine
CID 143767816
3-(methylideneamino)-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-amine
CID 144296879
4-Methyl-6,7,8,9-tetrahydro-2-benzazepin-4-amine
CID 145649629
3,6,7-Trimethylazepin-3-amine
CID 166814252
4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine
CID 143767817

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine?
The IUPAC name of 3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine (CID 156794150) is 3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine.
What is the SMILES notation for 3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine?
The canonical SMILES for 3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine is CC1(N)C=CC2=C(CCCC2)N=C1.
What is the InChIKey of 3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine?
The InChIKey is XCFHSJYUEXTHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(12)7-6-9-4-2-3-5-10(9)13-8-11/h6-8H,2-5,12H2,1H3.
What are the key properties of 3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine?
3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine has a molecular weight of 176.26 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine is sourced from PubChem (CID 156794150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).