1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine

C17H37N5 — CID 111000213

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC1CCCN1C
InChIInChI=1S/C17H37N5/c1-6-22(7-2)13-8-10-15(3)20-17(18-4)19-14-16-11-9-12-21(16)5/h15-16H,6-14H2,1-5H3,(H2,18,19,20)
InChIKeyAKAJYMBFNQMBSY-UHFFFAOYSA-N
MW311.52 g/mol
LogP1.76
Rot. Bonds9

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine (PubChem CID 111000213) has the molecular formula C17H37N5 and a molecular weight of 311.52 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
PubChem CID111000213
Molecular FormulaC17H37N5
Molecular Weight311.52 g/mol
Exact Mass311.30
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC1CCCN1C
InChIInChI=1S/C17H37N5/c1-6-22(7-2)13-8-10-15(3)20-17(18-4)19-14-16-11-9-12-21(16)5/h15-16H,6-14H2,1-5H3,(H2,18,19,20)
InChIKeyAKAJYMBFNQMBSY-UHFFFAOYSA-N
XLogP1.76
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]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-[5-(diethylamino)pentan-2-yl]-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110999288
1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110998052
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 110998832
1-[5-(diethylamino)pentan-2-yl]-3-[(1,1-dioxothiolan-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111000160
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 111834020
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110998186
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111000019
1-[5-(diethylamino)pentan-2-yl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110998322
1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 111826758
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203860
1-[5-(diethylamino)pentan-2-yl]-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylguanidine
CID 110999737
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110998063

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine (CID 111000213) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine is CCN(CC)CCCC(C)N/C(=N\C)NCC1CCCN1C.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The InChIKey is AKAJYMBFNQMBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N5/c1-6-22(7-2)13-8-10-15(3)20-17(18-4)19-14-16-11-9-12-21(16)5/h15-16H,6-14H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine has a molecular weight of 311.52 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine is sourced from PubChem (CID 111000213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).