1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine

C9H17N3 — CID 103842901

IUPAC1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCC1=CCCC1
InChIInChI=1S/C9H17N3/c1-11-9(10)12-7-6-8-4-2-3-5-8/h4H,2-3,5-7H2,1H3,(H3,10,11,12)
InChIKeyJDKIDUDMASGZNO-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.02
Rot. Bonds3

About 1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine

1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine (PubChem CID 103842901) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine
PubChem CID103842901
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCC1=CCCC1
InChIInChI=1S/C9H17N3/c1-11-9(10)12-7-6-8-4-2-3-5-8/h4H,2-3,5-7H2,1H3,(H3,10,11,12)
InChIKeyJDKIDUDMASGZNO-UHFFFAOYSA-N
XLogP1.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.02
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diaminomethylideneamino)butyl]-2-[(Z)-octadec-9-enyl]guanidine
CID 172446834
1-(4-aminobutyl)-2-[(Z)-octadec-9-enyl]guanidine
CID 172448694
2-(8-aminooctyl)-1-[(Z)-octadec-9-enyl]guanidine
CID 172459535
2-decyl-1-[(Z)-octadec-9-enyl]guanidine
CID 172460300
1-(4-aminobutyl)-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172462374
1-(4-aminobutyl)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl]guanidine
CID 172465396
2-(8-aminooctyl)-1-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172469274
1-[8-(diaminomethylideneamino)octyl]-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172471824
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
CID 95908016
3-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
CID 100611868
1-(6-Aminohexyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661450
1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine (CID 103842901) is 1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine is C/N=C(\N)NCCC1=CCCC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine?
The InChIKey is JDKIDUDMASGZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-11-9(10)12-7-6-8-4-2-3-5-8/h4H,2-3,5-7H2,1H3,(H3,10,11,12).
What are the key properties of 1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine?
1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine has a molecular weight of 167.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 103842901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).