1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine

C11H24N4 — CID 63273569

IUPAC1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine
SMILESCCC/N=C(\N)N(C)CC1CCN(C)C1
InChIInChI=1S/C11H24N4/c1-4-6-13-11(12)15(3)9-10-5-7-14(2)8-10/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeyHLDFTAHDAIWQRR-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.59
Rot. Bonds4

About 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine

1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine (PubChem CID 63273569) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine
PubChem CID63273569
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine
SMILESCCC/N=C(\N)N(C)CC1CCN(C)C1
InChIInChI=1S/C11H24N4/c1-4-6-13-11(12)15(3)9-10-5-7-14(2)8-10/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeyHLDFTAHDAIWQRR-UHFFFAOYSA-N
XLogP0.59
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine 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

2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 76993513
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]thiourea
CID 63276177
2-tert-butyl-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 63234380
2-carbamothioyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 55172014
3-amino-2-(3-ethoxypropyl)-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 104886040
1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111065330
1-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 62363794
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63275058
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine?
The IUPAC name of 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine (CID 63273569) is 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine.
What is the SMILES notation for 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine?
The canonical SMILES for 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine is CCC/N=C(\N)N(C)CC1CCN(C)C1.
What is the InChIKey of 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine?
The InChIKey is HLDFTAHDAIWQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-6-13-11(12)15(3)9-10-5-7-14(2)8-10/h10H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine?
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine has a molecular weight of 212.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine is sourced from PubChem (CID 63273569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).