2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide

C13H29IN4 — CID 111125471

IUPAC2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
SMILESC/N=C(/NCC(C)CN1CCCC1)NC(C)C.I
InChIInChI=1S/C13H28N4.HI/c1-11(2)16-13(14-4)15-9-12(3)10-17-7-5-6-8-17;/h11-12H,5-10H2,1-4H3,(H2,14,15,16);1H
InChIKeyMNKWBCMDYZCRSF-UHFFFAOYSA-N
MW368.31 g/mol
LogP1.91
Rot. Bonds5

About 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide

2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide (PubChem CID 111125471) has the molecular formula C13H29IN4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
PubChem CID111125471
Molecular FormulaC13H29IN4
Molecular Weight368.31 g/mol
Exact Mass368.14
IUPAC Name2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
SMILESC/N=C(/NCC(C)CN1CCCC1)NC(C)C.I
InChIInChI=1S/C13H28N4.HI/c1-11(2)16-13(14-4)15-9-12(3)10-17-7-5-6-8-17;/h11-12H,5-10H2,1-4H3,(H2,14,15,16);1H
InChIKeyMNKWBCMDYZCRSF-UHFFFAOYSA-N
XLogP1.91
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(3-methylbutan-2-yl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111002632
2-methyl-1-(3-methylbutan-2-yl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111002633
1-cyclohexyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 110959056
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002640
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111248420
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111325290
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 75418876
2-methyl-1-(2-methylcyclopropyl)-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111961781
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318645
1-benzyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 110954630
1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111836738
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111971583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide (CID 111125471) is 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide is C/N=C(/NCC(C)CN1CCCC1)NC(C)C.I.
What is the InChIKey of 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide?
The InChIKey is MNKWBCMDYZCRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4.HI/c1-11(2)16-13(14-4)15-9-12(3)10-17-7-5-6-8-17;/h11-12H,5-10H2,1-4H3,(H2,14,15,16);1H.
What are the key properties of 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide?
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide has a molecular weight of 368.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111125471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).