1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

C15H25IN4 — CID 111963344

IUPAC1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCNc1ccccc1)NC1CC1C.I
InChIInChI=1S/C15H24N4.HI/c1-12-11-14(12)19-15(16-2)18-10-6-9-17-13-7-4-3-5-8-13;/h3-5,7-8,12,14,17H,6,9-11H2,1-2H3,(H2,16,18,19);1H
InChIKeySBCISHXOHJITMW-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.68
Rot. Bonds6

About 1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (PubChem CID 111963344) has the molecular formula C15H25IN4 and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
PubChem CID111963344
Molecular FormulaC15H25IN4
Molecular Weight388.30 g/mol
Exact Mass388.11
IUPAC Name1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCNc1ccccc1)NC1CC1C.I
InChIInChI=1S/C15H24N4.HI/c1-12-11-14(12)19-15(16-2)18-10-6-9-17-13-7-4-3-5-8-13;/h3-5,7-8,12,14,17H,6,9-11H2,1-2H3,(H2,16,18,19);1H
InChIKeySBCISHXOHJITMW-UHFFFAOYSA-N
XLogP2.68
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methylcyclopropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111963724
2-methyl-1-(2-methylcyclopropyl)-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111373074
2-methyl-1-[2-(N-methylanilino)ethyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962486
1-(3-anilinopropyl)-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001106
1-(3-benzylsulfonylpropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961097
1-(3-anilinopropyl)-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017764
1-(3-anilinopropyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343872
1-(3-anilinopropyl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318808
2-methyl-1-(2-methylcyclopropyl)-3-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
CID 111961612
1-(2-anilino-3-methylbutyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111960991
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111988908
1-(3,3-dimethylbutyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111878126

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (CID 111963344) is 1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is C/N=C(\NCCCNc1ccccc1)NC1CC1C.I.
What is the InChIKey of 1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The InChIKey is SBCISHXOHJITMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.HI/c1-12-11-14(12)19-15(16-2)18-10-6-9-17-13-7-4-3-5-8-13;/h3-5,7-8,12,14,17H,6,9-11H2,1-2H3,(H2,16,18,19);1H.
What are the key properties of 1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide has a molecular weight of 388.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111963344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).