2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide

C12H24IN3 — CID 111759252

IUPAC2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC1(C)CCCC1.I
InChIInChI=1S/C12H23N3.HI/c1-4-9-14-11(13-3)15-10-12(2)7-5-6-8-12;/h4H,1,5-10H2,2-3H3,(H2,13,14,15);1H
InChIKeyUMMWVHOYAVKPAM-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.54
Rot. Bonds4

About 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide

2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide (PubChem CID 111759252) has the molecular formula C12H24IN3 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide
PubChem CID111759252
Molecular FormulaC12H24IN3
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC Name2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC1(C)CCCC1.I
InChIInChI=1S/C12H23N3.HI/c1-4-9-14-11(13-3)15-10-12(2)7-5-6-8-12;/h4H,1,5-10H2,2-3H3,(H2,13,14,15);1H
InChIKeyUMMWVHOYAVKPAM-UHFFFAOYSA-N
XLogP2.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[[(1-methylcycloheptyl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 110036202
2-methyl-1-[(1-phenylcyclopentyl)methyl]-3-prop-2-enylguanidine
CID 110982827
2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
CID 111760433
2-methyl-1-prop-2-enyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111548537
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-prop-2-enylguanidine
CID 110982525
1-(3-methoxypropyl)-2-methyl-3-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 111759040
2-methyl-1-[[1-(1-phenylethylamino)cyclopentyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111779427
2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine
CID 110982833
N,N-dimethyl-1-[[[N'-methyl-N-[(1-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 119161669
1-(3-butoxypropyl)-2-methyl-3-[(1-methylcyclopentyl)methyl]guanidine
CID 111763911
2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine
CID 130692700
1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 130618823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide (CID 111759252) is 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCC1(C)CCCC1.I.
What is the InChIKey of 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is UMMWVHOYAVKPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.HI/c1-4-9-14-11(13-3)15-10-12(2)7-5-6-8-12;/h4H,1,5-10H2,2-3H3,(H2,13,14,15);1H.
What are the key properties of 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide?
2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 337.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 111759252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).