1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride

C17H22ClN3 — CID 164929788

IUPAC1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CC(C)c2c1ccc1c(CCC)cccc21
InChIInChI=1S/C17H21N3.ClH/c1-3-5-12-6-4-7-14-13(12)8-9-15-16(14)11(2)10-20(15)17(18)19;/h4,6-9,11H,3,5,10H2,1-2H3,(H3,18,19);1H
InChIKeyVVCDRHYASQIJST-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.03
Rot. Bonds2

About 1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride

1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride (PubChem CID 164929788) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
PubChem CID164929788
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CC(C)c2c1ccc1c(CCC)cccc21
InChIInChI=1S/C17H21N3.ClH/c1-3-5-12-6-4-7-14-13(12)8-9-15-16(14)11(2)10-20(15)17(18)19;/h4,6-9,11H,3,5,10H2,1-2H3,(H3,18,19);1H
InChIKeyVVCDRHYASQIJST-UHFFFAOYSA-N
XLogP4.03
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
The IUPAC name of 1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride (CID 164929788) is 1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride.
What is the SMILES notation for 1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
The canonical SMILES for 1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CC(C)c2c1ccc1c(CCC)cccc21.
What is the InChIKey of 1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
The InChIKey is VVCDRHYASQIJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.ClH/c1-3-5-12-6-4-7-14-13(12)8-9-15-16(14)11(2)10-20(15)17(18)19;/h4,6-9,11H,3,5,10H2,1-2H3,(H3,18,19);1H.
What are the key properties of 1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride has a molecular weight of 303.84 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride is sourced from PubChem (CID 164929788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).