2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine

C9H17N5 — CID 21442515

IUPAC2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CC1CC=CCC1
InChIInChI=1S/C9H17N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H6,10,11,12,13,14)
InChIKeyNSMQBSQCTMCDSM-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.07
Rot. Bonds2

About 2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine

2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine (PubChem CID 21442515) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine
PubChem CID21442515
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CC1CC=CCC1
InChIInChI=1S/C9H17N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H6,10,11,12,13,14)
InChIKeyNSMQBSQCTMCDSM-UHFFFAOYSA-N
XLogP-0.07
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.07
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine (CID 21442515) is 2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/CC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine?
The InChIKey is NSMQBSQCTMCDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H6,10,11,12,13,14).
What are the key properties of 2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine?
2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine has a molecular weight of 195.27 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 21442515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).