3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine

C14H20N2 — CID 129213634

IUPAC3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
SMILESCNc1ccc2c(c1)CCN(C1CC1)CC2
InChIInChI=1S/C14H20N2/c1-15-13-3-2-11-6-8-16(14-4-5-14)9-7-12(11)10-13/h2-3,10,14-15H,4-9H2,1H3
InChIKeyVHUDRAZEFWSOMK-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.29
Rot. Bonds2

About 3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine

3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine (PubChem CID 129213634) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
PubChem CID129213634
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
SMILESCNc1ccc2c(c1)CCN(C1CC1)CC2
InChIInChI=1S/C14H20N2/c1-15-13-3-2-11-6-8-16(14-4-5-14)9-7-12(11)10-13/h2-3,10,14-15H,4-9H2,1H3
InChIKeyVHUDRAZEFWSOMK-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine?
The IUPAC name of 3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine (CID 129213634) is 3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine.
What is the SMILES notation for 3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine?
The canonical SMILES for 3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine is CNc1ccc2c(c1)CCN(C1CC1)CC2.
What is the InChIKey of 3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine?
The InChIKey is VHUDRAZEFWSOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-15-13-3-2-11-6-8-16(14-4-5-14)9-7-12(11)10-13/h2-3,10,14-15H,4-9H2,1H3.
What are the key properties of 3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine?
3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine has a molecular weight of 216.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine is sourced from PubChem (CID 129213634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).