1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine

C12H26N4 — CID 100673310

IUPAC1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESCN(C)C(=NCCCN1CCCC1)N(C)C
InChIInChI=1S/C12H26N4/c1-14(2)12(15(3)4)13-8-7-11-16-9-5-6-10-16/h5-11H2,1-4H3
InChIKeyJBUHDRYYAPEJCI-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.95
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine

1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 100673310) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID100673310
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESCN(C)C(=NCCCN1CCCC1)N(C)C
InChIInChI=1S/C12H26N4/c1-14(2)12(15(3)4)13-8-7-11-16-9-5-6-10-16/h5-11H2,1-4H3
InChIKeyJBUHDRYYAPEJCI-UHFFFAOYSA-N
XLogP0.95
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[3-(1-Methylpyrrolidin-1-ium-1-yl)propyl]guanidine
CID 24845570
2-[3-(Diethylamino)propyl]-1,1,3,3-tetramethylguanidine
CID 111025376
1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide
CID 10130232
[Dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium
CID 20688139
N-ethyl-N'-[3-(1-ethylpyrrolidin-1-ium-1-yl)propyl]methanediimine
CID 22895065
3-[(1,3-dimethylimidazolidin-2-ylidene)amino]-N,N-dimethylpropan-1-amine
CID 23524778
1,3-dimethyl-2-pyrrolidin-1-yl-5,6-dihydro-4H-pyrimidin-1-ium
CID 59325854
N'-carbamimidoyl-N,N-dimethylpyrrolidine-1-carboximidamide
CID 69021769
4-N-ethyl-4-N-methyl-4-pyrrolidin-1-yl-1H-1,3,5-triazine-2,4,6-triamine
CID 69320915
N'-butyl-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
CID 71514573
2-[3-(Dimethylamino)propyl]-1,1,3,3-tetramethylguanidine
CID 88273352
N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide
CID 123599170

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine (CID 100673310) is 1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine is CN(C)C(=NCCCN1CCCC1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is JBUHDRYYAPEJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-14(2)12(15(3)4)13-8-7-11-16-9-5-6-10-16/h5-11H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 226.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 100673310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).