1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine

C9H19N5 — CID 107419018

IUPAC1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
SMILESCC1CCCC1C/N=C(\N)N=C(N)N
InChIInChI=1S/C9H19N5/c1-6-3-2-4-7(6)5-13-9(12)14-8(10)11/h6-7H,2-5H2,1H3,(H6,10,11,12,13,14)
InChIKeyZASDSYIIFJLSSA-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.01
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine

1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine (PubChem CID 107419018) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
PubChem CID107419018
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
SMILESCC1CCCC1C/N=C(\N)N=C(N)N
InChIInChI=1S/C9H19N5/c1-6-3-2-4-7(6)5-13-9(12)14-8(10)11/h6-7H,2-5H2,1H3,(H6,10,11,12,13,14)
InChIKeyZASDSYIIFJLSSA-UHFFFAOYSA-N
XLogP0.01
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
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-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107420682
N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide
CID 63176723
1-(isothiocyanatomethyl)-2-methylcyclopentane
CID 107418936
1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 83032402
N'-[(2-methylcyclohexyl)methyl]butanimidamide
CID 63176610
1-amino-2-[(2-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
CID 107421475
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine
CID 130816153
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine
CID 110920662
1-(chloromethyl)-2-methylcyclopentane
CID 13459403
1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110920661

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine (CID 107419018) is 1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine is CC1CCCC1C/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine?
The InChIKey is ZASDSYIIFJLSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-6-3-2-4-7(6)5-13-9(12)14-8(10)11/h6-7H,2-5H2,1H3,(H6,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine?
1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine has a molecular weight of 197.29 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 107419018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).