5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride

C15H22ClN — CID 2858271

IUPAC5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride
SMILESCC1CC2(CCCC2)NCc2ccccc21.Cl
InChIInChI=1S/C15H21N.ClH/c1-12-10-15(8-4-5-9-15)16-11-13-6-2-3-7-14(12)13;/h2-3,6-7,12,16H,4-5,8-11H2,1H3;1H
InChIKeyJNHWHWFAHGPJPO-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.02
Rot. Bonds

About 5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride

5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride (PubChem CID 2858271) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride.

Molecular Properties

Compound Name5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride
PubChem CID2858271
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride
SMILESCC1CC2(CCCC2)NCc2ccccc21.Cl
InChIInChI=1S/C15H21N.ClH/c1-12-10-15(8-4-5-9-15)16-11-13-6-2-3-7-14(12)13;/h2-3,6-7,12,16H,4-5,8-11H2,1H3;1H
InChIKeyJNHWHWFAHGPJPO-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride?
The IUPAC name of 5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride (CID 2858271) is 5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride.
What is the SMILES notation for 5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride?
The canonical SMILES for 5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride is CC1CC2(CCCC2)NCc2ccccc21.Cl.
What is the InChIKey of 5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride?
The InChIKey is JNHWHWFAHGPJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.ClH/c1-12-10-15(8-4-5-9-15)16-11-13-6-2-3-7-14(12)13;/h2-3,6-7,12,16H,4-5,8-11H2,1H3;1H.
What are the key properties of 5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride?
5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane];hydrochloride is sourced from PubChem (CID 2858271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).