3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine

C13H19N3 — CID 165113998

IUPAC3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine
SMILESNc1cc2c(cc1N)CCN(C1CC1)CC2
InChIInChI=1S/C13H19N3/c14-12-7-9-3-5-16(11-1-2-11)6-4-10(9)8-13(12)15/h7-8,11H,1-6,14-15H2
InChIKeyPZEVJLBAWMFTBM-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.41
Rot. Bonds1

About 3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine

3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine (PubChem CID 165113998) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine.

Molecular Properties

Compound Name3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine
PubChem CID165113998
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine
SMILESNc1cc2c(cc1N)CCN(C1CC1)CC2
InChIInChI=1S/C13H19N3/c14-12-7-9-3-5-16(11-1-2-11)6-4-10(9)8-13(12)15/h7-8,11H,1-6,14-15H2
InChIKeyPZEVJLBAWMFTBM-UHFFFAOYSA-N
XLogP1.41
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 129213634
6-cyclopropyl-7,8-dihydro-5H-1,6-naphthyridin-3-amine
CID 84662225
7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
CID 58277899
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine
CID 10244844
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide
CID 70320378
2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine
CID 166120622
3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane
CID 143718969
2-(1,1-dioxothian-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522543
5-(4-cyclopropylpiperazin-1-yl)pyridin-3-amine
CID 104533354
2-[4-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522338

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine?
The IUPAC name of 3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine (CID 165113998) is 3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine.
What is the SMILES notation for 3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine?
The canonical SMILES for 3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine is Nc1cc2c(cc1N)CCN(C1CC1)CC2.
What is the InChIKey of 3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine?
The InChIKey is PZEVJLBAWMFTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-12-7-9-3-5-16(11-1-2-11)6-4-10(9)8-13(12)15/h7-8,11H,1-6,14-15H2.
What are the key properties of 3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine?
3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine has a molecular weight of 217.32 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diamine is sourced from PubChem (CID 165113998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).