2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride

C12H19ClN4 — CID 52995010

IUPAC2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride
SMILESCc1ccc2c(c1)NC(CN=C(N)N)CC2.Cl
InChIInChI=1S/C12H18N4.ClH/c1-8-2-3-9-4-5-10(7-15-12(13)14)16-11(9)6-8;/h2-3,6,10,16H,4-5,7H2,1H3,(H4,13,14,15);1H
InChIKeyVHONFQNMRCGXOC-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.42
Rot. Bonds2

About 2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride

2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride (PubChem CID 52995010) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride
PubChem CID52995010
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride
SMILESCc1ccc2c(c1)NC(CN=C(N)N)CC2.Cl
InChIInChI=1S/C12H18N4.ClH/c1-8-2-3-9-4-5-10(7-15-12(13)14)16-11(9)6-8;/h2-3,6,10,16H,4-5,7H2,1H3,(H4,13,14,15);1H
InChIKeyVHONFQNMRCGXOC-UHFFFAOYSA-N
XLogP1.42
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride?
The IUPAC name of 2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride (CID 52995010) is 2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride.
What is the SMILES notation for 2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride?
The canonical SMILES for 2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride is Cc1ccc2c(c1)NC(CN=C(N)N)CC2.Cl.
What is the InChIKey of 2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride?
The InChIKey is VHONFQNMRCGXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.ClH/c1-8-2-3-9-4-5-10(7-15-12(13)14)16-11(9)6-8;/h2-3,6,10,16H,4-5,7H2,1H3,(H4,13,14,15);1H.
What are the key properties of 2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride?
2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine;hydrochloride is sourced from PubChem (CID 52995010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).