2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride

C11H18ClN3 — CID 175076305

IUPAC2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
SMILESC/N=C(\N)NCCCc1ccccc1.Cl
InChIInChI=1S/C11H17N3.ClH/c1-13-11(12)14-9-5-8-10-6-3-2-4-7-10;/h2-4,6-7H,5,8-9H2,1H3,(H3,12,13,14);1H
InChIKeyKNKFTHWCEGNPIZ-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride

2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride (PubChem CID 175076305) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
PubChem CID175076305
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
SMILESC/N=C(\N)NCCCc1ccccc1.Cl
InChIInChI=1S/C11H17N3.ClH/c1-13-11(12)14-9-5-8-10-6-3-2-4-7-10;/h2-4,6-7H,5,8-9H2,1H3,(H3,12,13,14);1H
InChIKeyKNKFTHWCEGNPIZ-UHFFFAOYSA-N
XLogP1.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenylpropylurea;hydrochloride
CID 174579396
1-(2-benzylsulfonylethyl)-2-methylguanidine
CID 119120447
1-(2-ethylsulfonylethyl)-2-methyl-3-(3-phenylpropyl)guanidine
CID 111198598
1-[4-(4-ethoxyphenyl)butyl]-2-methylguanidine
CID 143046458
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
2-methyl-1-(3-trityloxypropyl)guanidine
CID 141146034
4-[[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111198841
1,2-dimethyl-3-(N'-methylcarbamimidoyl)-1-(3-phenylpropyl)guanidine
CID 123172045
2-methyl-N-[2-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]ethyl]propanamide
CID 111199142
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
1-(2-ethoxyethyl)-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198953
(Z)-2-cyano-3-(3-phenylpropylamino)but-2-enethioamide
CID 87799103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride?
The IUPAC name of 2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride (CID 175076305) is 2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride?
The canonical SMILES for 2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride is C/N=C(\N)NCCCc1ccccc1.Cl.
What is the InChIKey of 2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride?
The InChIKey is KNKFTHWCEGNPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.ClH/c1-13-11(12)14-9-5-8-10-6-3-2-4-7-10;/h2-4,6-7H,5,8-9H2,1H3,(H3,12,13,14);1H.
What are the key properties of 2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride?
2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride is sourced from PubChem (CID 175076305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).