2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide

C11H25IN4 — CID 75418876

IUPAC2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(\N)NCC(C)CN1CCCCC1.I
InChIInChI=1S/C11H24N4.HI/c1-10(8-14-11(12)13-2)9-15-6-4-3-5-7-15;/h10H,3-9H2,1-2H3,(H3,12,13,14);1H
InChIKeyQECOZCMAWCPBEN-UHFFFAOYSA-N
MW340.25 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide

2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide (PubChem CID 75418876) has the molecular formula C11H25IN4 and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
PubChem CID75418876
Molecular FormulaC11H25IN4
Molecular Weight340.25 g/mol
Exact Mass340.11
IUPAC Name2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(\N)NCC(C)CN1CCCCC1.I
InChIInChI=1S/C11H24N4.HI/c1-10(8-14-11(12)13-2)9-15-6-4-3-5-7-15;/h10H,3-9H2,1-2H3,(H3,12,13,14);1H
InChIKeyQECOZCMAWCPBEN-UHFFFAOYSA-N
XLogP1.26
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 51.26
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-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125471
2-methyl-1-(3-methylbutan-2-yl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111002632
1-cyclohexyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 110959056
2-methyl-1-(3-methylbutan-2-yl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111002633
N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378933
N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443536
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-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
2-methyl-1-(2-methylcyclopropyl)-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111961781
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide (CID 75418876) is 2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide is C/N=C(\N)NCC(C)CN1CCCCC1.I.
What is the InChIKey of 2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is QECOZCMAWCPBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4.HI/c1-10(8-14-11(12)13-2)9-15-6-4-3-5-7-15;/h10H,3-9H2,1-2H3,(H3,12,13,14);1H.
What are the key properties of 2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide?
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 340.25 g/mol, XLogP of 1.26, 4 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-piperidin-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 75418876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).