1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine

C18H29N5 — CID 111341203

IUPAC1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
SMILESC/N=C(\NCCCN(C)C)NCCCn1ccc2ccccc21
InChIInChI=1S/C18H29N5/c1-19-18(20-11-6-13-22(2)3)21-12-7-14-23-15-10-16-8-4-5-9-17(16)23/h4-5,8-10,15H,6-7,11-14H2,1-3H3,(H2,19,20,21)
InChIKeyBYLTVIBNZYEPQK-UHFFFAOYSA-N
MW315.47 g/mol
LogP2.15
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine

1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine (PubChem CID 111341203) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
PubChem CID111341203
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
SMILESC/N=C(\NCCCN(C)C)NCCCn1ccc2ccccc21
InChIInChI=1S/C18H29N5/c1-19-18(20-11-6-13-22(2)3)21-12-7-14-23-15-10-16-8-4-5-9-17(16)23/h4-5,8-10,15H,6-7,11-14H2,1-3H3,(H2,19,20,21)
InChIKeyBYLTVIBNZYEPQK-UHFFFAOYSA-N
XLogP2.15
TPSA44.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(3-indol-1-ylpropyl)-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111341693
1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226439
1-[4-(diethylamino)butyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341527
1-[2-(dimethylamino)-2-methylpropyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341237
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941078
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110953617
1-[2-(tert-butylamino)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111766146
1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 111342033
1-(3-indol-1-ylpropyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111341640
methyl 3-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]propanoate
CID 111341359
1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341691
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine (CID 111341203) is 1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine is C/N=C(\NCCCN(C)C)NCCCn1ccc2ccccc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine?
The InChIKey is BYLTVIBNZYEPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-19-18(20-11-6-13-22(2)3)21-12-7-14-23-15-10-16-8-4-5-9-17(16)23/h4-5,8-10,15H,6-7,11-14H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine?
1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine has a molecular weight of 315.47 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine is sourced from PubChem (CID 111341203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).