3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine

C10H14N2 — CID 123268711

IUPAC3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine
SMILESNC1CCCN=C2C=CCC=C21
InChIInChI=1S/C10H14N2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h2,4,6,9H,1,3,5,7,11H2
InChIKeyJDMOPZVCBVJOKE-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.43
Rot. Bonds

About 3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine

3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine (PubChem CID 123268711) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine.

Molecular Properties

Compound Name3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine
PubChem CID123268711
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine
SMILESNC1CCCN=C2C=CCC=C21
InChIInChI=1S/C10H14N2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h2,4,6,9H,1,3,5,7,11H2
InChIKeyJDMOPZVCBVJOKE-UHFFFAOYSA-N
XLogP1.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 122664606
4-Iminocyclohex-2-en-1-amine
CID 123227294
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CID 123374353
1-(2,3-Dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
CID 123499287
1-(3-Iminocyclohexen-1-yl)ethanamine
CID 123703939
(4Z)-4-ethylidene-3-iminodecan-5-amine
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Frequently Asked Questions

What is the IUPAC name of 3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine?
The IUPAC name of 3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine (CID 123268711) is 3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine.
What is the SMILES notation for 3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine?
The canonical SMILES for 3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine is NC1CCCN=C2C=CCC=C21.
What is the InChIKey of 3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine?
The InChIKey is JDMOPZVCBVJOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h2,4,6,9H,1,3,5,7,11H2.
What are the key properties of 3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine?
3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine has a molecular weight of 162.24 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine is sourced from PubChem (CID 123268711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).