[1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine

C17H27N3 — CID 81468198

IUPAC[1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCc3ccccc3CC2)CN1C
InChIInChI=1S/C17H27N3/c1-14-11-17(12-18,13-19(14)2)20-9-7-15-5-3-4-6-16(15)8-10-20/h3-6,14H,7-13,18H2,1-2H3
InChIKeyZMTJWEABVOGFTK-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.51
Rot. Bonds2

About [1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine

[1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 81468198) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is [1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID81468198
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name[1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCc3ccccc3CC2)CN1C
InChIInChI=1S/C17H27N3/c1-14-11-17(12-18,13-19(14)2)20-9-7-15-5-3-4-6-16(15)8-10-20/h3-6,14H,7-13,18H2,1-2H3
InChIKeyZMTJWEABVOGFTK-UHFFFAOYSA-N
XLogP1.51
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine (CID 81468198) is [1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine is CC1CC(CN)(N2CCc3ccccc3CC2)CN1C.
What is the InChIKey of [1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is ZMTJWEABVOGFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-11-17(12-18,13-19(14)2)20-9-7-15-5-3-4-6-16(15)8-10-20/h3-6,14H,7-13,18H2,1-2H3.
What are the key properties of [1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine?
[1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 81468198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).