1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine

C22H37N5 — CID 110999155

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C22H37N5/c1-6-27(7-2)16-10-11-17(3)25-22(23-5)24-15-14-19-18(4)26-21-13-9-8-12-20(19)21/h8-9,12-13,17,26H,6-7,10-11,14-16H2,1-5H3,(H2,23,24,25)
InChIKeyVPSTTXRUQWTWPI-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.69
Rot. Bonds10

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine (PubChem CID 110999155) has the molecular formula C22H37N5 and a molecular weight of 371.57 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
PubChem CID110999155
Molecular FormulaC22H37N5
Molecular Weight371.57 g/mol
Exact Mass371.30
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C22H37N5/c1-6-27(7-2)16-10-11-17(3)25-22(23-5)24-15-14-19-18(4)26-21-13-9-8-12-20(19)21/h8-9,12-13,17,26H,6-7,10-11,14-16H2,1-5H3,(H2,23,24,25)
InChIKeyVPSTTXRUQWTWPI-UHFFFAOYSA-N
XLogP3.69
TPSA55.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111237051
2-methyl-1-(3-methylbutyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110978462
1-[5-(diethylamino)pentan-2-yl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 110999507
2-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-prop-2-enylguanidine
CID 110981811
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 110975381
1-[2-(3-chlorophenyl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999501
1-(3-butoxypropyl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111240301
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110999466
1-(2-methoxyethyl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 110941362
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 110999929
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(3-phenoxypropyl)guanidine
CID 110999013
1-[5-(diethylamino)pentan-2-yl]-3-[2-[4-(dimethylamino)phenyl]ethyl]-2-methylguanidine
CID 110998649

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine (CID 110999155) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine is CCN(CC)CCCC(C)N/C(=N\C)NCCc1c(C)[nH]c2ccccc12.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is VPSTTXRUQWTWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5/c1-6-27(7-2)16-10-11-17(3)25-22(23-5)24-15-14-19-18(4)26-21-13-9-8-12-20(19)21/h8-9,12-13,17,26H,6-7,10-11,14-16H2,1-5H3,(H2,23,24,25).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 371.57 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 110999155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).