1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine

C11H24N4 — CID 111065330

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

About 1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine

1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 111065330) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
PubChem CID111065330
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESCCN(CC)/C(N)=N/CC1CCN(C)C1
InChIInChI=1S/C11H24N4/c1-4-15(5-2)11(12)13-8-10-6-7-14(3)9-10/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeySNPQVHOCWYVUCE-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'}

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Related Compounds

2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 55134240
1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111859870
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990
2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63175993
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
CID 63173412
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine
CID 63273569
N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111010056
5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 120662690
2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 76993513
1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
CID 104884151
(2S)-2-amino-N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 66565879

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine (CID 111065330) is 1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine is CCN(CC)/C(N)=N/CC1CCN(C)C1.
What is the InChIKey of 1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is SNPQVHOCWYVUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-15(5-2)11(12)13-8-10-6-7-14(3)9-10/h10H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of 1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine 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 1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 111065330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).