2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine

C10H17N5 — CID 155371886

IUPAC2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine
SMILESC=c1cc[nH]/c1=C(/CN/C(N)=N/C)NC
InChIInChI=1S/C10H17N5/c1-7-4-5-14-9(7)8(12-2)6-15-10(11)13-3/h4-5,12,14H,1,6H2,2-3H3,(H3,11,13,15)/b9-8-
InChIKeyUJCCBXLNRUKVKD-HJWRWDBZSA-N
MW207.28 g/mol
LogP-1.71
Rot. Bonds3

About 2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine

2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine (PubChem CID 155371886) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine
PubChem CID155371886
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine
SMILESC=c1cc[nH]/c1=C(/CN/C(N)=N/C)NC
InChIInChI=1S/C10H17N5/c1-7-4-5-14-9(7)8(12-2)6-15-10(11)13-3/h4-5,12,14H,1,6H2,2-3H3,(H3,11,13,15)/b9-8-
InChIKeyUJCCBXLNRUKVKD-HJWRWDBZSA-N
XLogP-1.71
TPSA78.23 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine (CID 155371886) is 2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine is C=c1cc[nH]/c1=C(/CN/C(N)=N/C)NC.
What is the InChIKey of 2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine?
The InChIKey is UJCCBXLNRUKVKD-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H17N5/c1-7-4-5-14-9(7)8(12-2)6-15-10(11)13-3/h4-5,12,14H,1,6H2,2-3H3,(H3,11,13,15)/b9-8-.
What are the key properties of 2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine?
2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine has a molecular weight of 207.28 g/mol, XLogP of -1.71, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine is sourced from PubChem (CID 155371886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).