2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride

C15H23ClN2 — CID 161304245

IUPAC2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride
SMILESCCCN1CC2CCc3cc(N)ccc3C2C1.Cl
InChIInChI=1S/C15H22N2.ClH/c1-2-7-17-9-12-4-3-11-8-13(16)5-6-14(11)15(12)10-17;/h5-6,8,12,15H,2-4,7,9-10,16H2,1H3;1H
InChIKeyVIAMXYSDCPPFPR-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.06
Rot. Bonds2

About 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride

2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride (PubChem CID 161304245) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride.

Molecular Properties

Compound Name2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride
PubChem CID161304245
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride
SMILESCCCN1CC2CCc3cc(N)ccc3C2C1.Cl
InChIInChI=1S/C15H22N2.ClH/c1-2-7-17-9-12-4-3-11-8-13(16)5-6-14(11)15(12)10-17;/h5-6,8,12,15H,2-4,7,9-10,16H2,1H3;1H
InChIKeyVIAMXYSDCPPFPR-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride with MolForge

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Related Compounds

1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724206
(3aS,9bS)-7-methoxy-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 141001034
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-inden-5-amine
CID 112745808
1-N-propan-2-yl-1-N-propyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79742171
(3aR,9bR)-2-[2-(furan-2-yl)ethyl]-7-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 10040293
3-butyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 19093629
1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741362
1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741366
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79740810
1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 79725171
5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene
CID 79723506
1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 114811154

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride?
The IUPAC name of 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride (CID 161304245) is 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride.
What is the SMILES notation for 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride?
The canonical SMILES for 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride is CCCN1CC2CCc3cc(N)ccc3C2C1.Cl.
What is the InChIKey of 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride?
The InChIKey is VIAMXYSDCPPFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.ClH/c1-2-7-17-9-12-4-3-11-8-13(16)5-6-14(11)15(12)10-17;/h5-6,8,12,15H,2-4,7,9-10,16H2,1H3;1H.
What are the key properties of 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride?
2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride has a molecular weight of 266.82 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-7-amine;hydrochloride is sourced from PubChem (CID 161304245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).