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

C14H22N2 — CID 114336172

IUPACN-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCCN1CCCC(NC)c2ccccc21
InChIInChI=1S/C14H22N2/c1-3-10-16-11-6-8-13(15-2)12-7-4-5-9-14(12)16/h4-5,7,9,13,15H,3,6,8,10-11H2,1-2H3
InChIKeyIELONXHBWMAQEU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.96
Rot. Bonds3

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

N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114336172) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound NameN-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114336172
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCCN1CCCC(NC)c2ccccc21
InChIInChI=1S/C14H22N2/c1-3-10-16-11-6-8-13(15-2)12-7-4-5-9-14(12)16/h4-5,7,9,13,15H,3,6,8,10-11H2,1-2H3
InChIKeyIELONXHBWMAQEU-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114336172) is N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CCCN1CCCC(NC)c2ccccc21.
What is the InChIKey of N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is IELONXHBWMAQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-10-16-11-6-8-13(15-2)12-7-4-5-9-14(12)16/h4-5,7,9,13,15H,3,6,8,10-11H2,1-2H3.
What are the key properties of N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 218.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114336172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).