2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide

C18H31IN4 — CID 119155168

IUPAC2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ncccc1C)NC1CCCC(C(C)C)C1.I
InChIInChI=1S/C18H30N4.HI/c1-13(2)15-8-5-9-16(11-15)22-18(19-4)21-12-17-14(3)7-6-10-20-17;/h6-7,10,13,15-16H,5,8-9,11-12H2,1-4H3,(H2,19,21,22);1H
InChIKeyFYYCPFRHTPSYLS-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.89
Rot. Bonds4

About 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide

2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide (PubChem CID 119155168) has the molecular formula C18H31IN4 and a molecular weight of 430.38 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide
PubChem CID119155168
Molecular FormulaC18H31IN4
Molecular Weight430.38 g/mol
Exact Mass430.16
IUPAC Name2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ncccc1C)NC1CCCC(C(C)C)C1.I
InChIInChI=1S/C18H30N4.HI/c1-13(2)15-8-5-9-16(11-15)22-18(19-4)21-12-17-14(3)7-6-10-20-17;/h6-7,10,13,15-16H,5,8-9,11-12H2,1-4H3,(H2,19,21,22);1H
InChIKeyFYYCPFRHTPSYLS-UHFFFAOYSA-N
XLogP3.89
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.89
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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Launch Full Analysis

Related Compounds

ethyl 4-[[N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111788506
tert-butyl 3-[[N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465555
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119140089
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 109390749
1-(1-methoxypropan-2-yl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111788239
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111788851
1-cyclopentyl-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111787756
1-cyclohexyl-3-(isoquinolin-1-ylmethyl)-2-methylguanidine
CID 110957626
1-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111788227
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111788852
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111788160

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide (CID 119155168) is 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide is C/N=C(\NCc1ncccc1C)NC1CCCC(C(C)C)C1.I.
What is the InChIKey of 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide?
The InChIKey is FYYCPFRHTPSYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4.HI/c1-13(2)15-8-5-9-16(11-15)22-18(19-4)21-12-17-14(3)7-6-10-20-17;/h6-7,10,13,15-16H,5,8-9,11-12H2,1-4H3,(H2,19,21,22);1H.
What are the key properties of 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide?
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide has a molecular weight of 430.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(3-propan-2-ylcyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 119155168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).