2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine

C12H25N3 — CID 111760433

IUPAC2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
SMILESC/N=C(/NCC1(C)CCCC1)NC(C)C
InChIInChI=1S/C12H25N3/c1-10(2)15-11(13-4)14-9-12(3)7-5-6-8-12/h10H,5-9H2,1-4H3,(H2,13,14,15)
InChIKeyJMTWNBYRZIUYGE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.14
Rot. Bonds3

About 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine

2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine (PubChem CID 111760433) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
PubChem CID111760433
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
SMILESC/N=C(/NCC1(C)CCCC1)NC(C)C
InChIInChI=1S/C12H25N3/c1-10(2)15-11(13-4)14-9-12(3)7-5-6-8-12/h10H,5-9H2,1-4H3,(H2,13,14,15)
InChIKeyJMTWNBYRZIUYGE-UHFFFAOYSA-N
XLogP2.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.14
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'}

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Related Compounds

1-Ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473198
1-Ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473199
1-Ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473304
1-Ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473305
1-[(1-Ethylcyclopentyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473760
1-[(1-Ethylcyclopentyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473761
2-Methyl-1-[(1-methylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474610
2-Methyl-1-[(1-methylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474611
1-(5,5-Dimethylhexan-2-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109501004
1-(5,5-Dimethylhexan-2-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109501005
1-(5,5-Dimethylhexan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine
CID 109501055
1-(5,5-Dimethylhexan-2-yl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109501444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine?
The IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine (CID 111760433) is 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine.
What is the SMILES notation for 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine?
The canonical SMILES for 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine is C/N=C(/NCC1(C)CCCC1)NC(C)C.
What is the InChIKey of 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine?
The InChIKey is JMTWNBYRZIUYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)15-11(13-4)14-9-12(3)7-5-6-8-12/h10H,5-9H2,1-4H3,(H2,13,14,15).
What are the key properties of 2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine?
2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine has a molecular weight of 211.35 g/mol, XLogP of 2.14, 3 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-propan-2-ylguanidine is sourced from PubChem (CID 111760433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).