2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide

C14H29IN4 — CID 111318287

IUPAC2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
SMILESC/N=C(/NC1CCN(C(C)C)CC1)NC1CC1C.I
InChIInChI=1S/C14H28N4.HI/c1-10(2)18-7-5-12(6-8-18)16-14(15-4)17-13-9-11(13)3;/h10-13H,5-9H2,1-4H3,(H2,15,16,17);1H
InChIKeyWZSKJVJSNKZXHV-UHFFFAOYSA-N
MW380.32 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide

2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide (PubChem CID 111318287) has the molecular formula C14H29IN4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
PubChem CID111318287
Molecular FormulaC14H29IN4
Molecular Weight380.32 g/mol
Exact Mass380.14
IUPAC Name2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
SMILESC/N=C(/NC1CCN(C(C)C)CC1)NC1CC1C.I
InChIInChI=1S/C14H28N4.HI/c1-10(2)18-7-5-12(6-8-18)16-14(15-4)17-13-9-11(13)3;/h10-13H,5-9H2,1-4H3,(H2,15,16,17);1H
InChIKeyWZSKJVJSNKZXHV-UHFFFAOYSA-N
XLogP2.05
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 52.05
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

1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317343
1-(2-benzylcyclopropyl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 119146210
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317344
2-methyl-1-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319009
2-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111318150
1-cyclopropyl-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318195
3-[[N'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111316687
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317839
2-methyl-1-(2-methylsulfanylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319262
1-(3-ethoxypropyl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317829
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319313
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide (CID 111318287) is 2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide is C/N=C(/NC1CCN(C(C)C)CC1)NC1CC1C.I.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The InChIKey is WZSKJVJSNKZXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4.HI/c1-10(2)18-7-5-12(6-8-18)16-14(15-4)17-13-9-11(13)3;/h10-13H,5-9H2,1-4H3,(H2,15,16,17);1H.
What are the key properties of 2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide has a molecular weight of 380.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 111318287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).