[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine

C15H22N2 — CID 115453899

IUPAC[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(CN2CCc3ccccc3CC2)CC1
InChIInChI=1S/C15H22N2/c16-11-15(7-8-15)12-17-9-5-13-3-1-2-4-14(13)6-10-17/h1-4H,5-12,16H2
InChIKeyDNUSOXGUJBSUNA-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.83
Rot. Bonds3

About [1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine

[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine (PubChem CID 115453899) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine
PubChem CID115453899
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(CN2CCc3ccccc3CC2)CC1
InChIInChI=1S/C15H22N2/c16-11-15(7-8-15)12-17-9-5-13-3-1-2-4-14(13)6-10-17/h1-4H,5-12,16H2
InChIKeyDNUSOXGUJBSUNA-UHFFFAOYSA-N
XLogP1.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine?
The IUPAC name of [1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine (CID 115453899) is [1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine is NCC1(CN2CCc3ccccc3CC2)CC1.
What is the InChIKey of [1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine?
The InChIKey is DNUSOXGUJBSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-11-15(7-8-15)12-17-9-5-13-3-1-2-4-14(13)6-10-17/h1-4H,5-12,16H2.
What are the key properties of [1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine?
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine has a molecular weight of 230.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine is sourced from PubChem (CID 115453899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).