3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine

C12H18N2 — CID 151233475

IUPAC3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine
SMILESCC1(C)C=NC2=C(CCC=C2)C(N)C1
InChIInChI=1S/C12H18N2/c1-12(2)7-10(13)9-5-3-4-6-11(9)14-8-12/h4,6,8,10H,3,5,7,13H2,1-2H3
InChIKeyNOUBBKGHLWVKCX-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.42
Rot. Bonds

About 3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine

3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine (PubChem CID 151233475) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine
PubChem CID151233475
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine
SMILESCC1(C)C=NC2=C(CCC=C2)C(N)C1
InChIInChI=1S/C12H18N2/c1-12(2)7-10(13)9-5-3-4-6-11(9)14-8-12/h4,6,8,10H,3,5,7,13H2,1-2H3
InChIKeyNOUBBKGHLWVKCX-UHFFFAOYSA-N
XLogP2.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[(1S)-cyclohexa-2,4-dien-1-yl]-1-(3,4-dihydropyridin-5-yl)ethanamine
CID 89864824
2-[(2Z,3Z)-3-ethyl-2-ethylidene-5-methylhexa-3,5-dienyl]-5-(ethylideneamino)-4,6-dimethylcyclohexa-2,4-dien-1-amine
CID 138646565
(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine;ethane
CID 142402425
(4R)-5-[(1R)-3-amino-2-methanimidoyl-2-methylcyclopropyl]-2,3,4-trimethylcyclohexa-1,5-dien-1-amine
CID 173820624
(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine
CID 142402426

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine (CID 151233475) is 3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine is CC1(C)C=NC2=C(CCC=C2)C(N)C1.
What is the InChIKey of 3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine?
The InChIKey is NOUBBKGHLWVKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2)7-10(13)9-5-3-4-6-11(9)14-8-12/h4,6,8,10H,3,5,7,13H2,1-2H3.
What are the key properties of 3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine?
3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine has a molecular weight of 190.29 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 151233475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).