1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine

C11H19N5 — CID 164965540

IUPAC1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine
SMILESC/N=C(/N=C(N)N)NCCC1=CCC(C)=C1
InChIInChI=1S/C11H19N5/c1-8-3-4-9(7-8)5-6-15-11(14-2)16-10(12)13/h4,7H,3,5-6H2,1-2H3,(H5,12,13,14,15,16)
InChIKeyINHGPZNAYXSHGT-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.50
Rot. Bonds3

About 1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine

1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine (PubChem CID 164965540) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine
PubChem CID164965540
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine
SMILESC/N=C(/N=C(N)N)NCCC1=CCC(C)=C1
InChIInChI=1S/C11H19N5/c1-8-3-4-9(7-8)5-6-15-11(14-2)16-10(12)13/h4,7H,3,5-6H2,1-2H3,(H5,12,13,14,15,16)
InChIKeyINHGPZNAYXSHGT-UHFFFAOYSA-N
XLogP0.50
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.50
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-(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
1-(Diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
CID 123187756
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 143503835
N'-[amino-[(3-methylcyclohexa-1,3-dien-1-yl)amino]methyl]pyrrolidine-1-carboximidamide
CID 144527446
N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 146653890
(5R)-5-[(3Z,5Z)-3,5-dimethylhepta-1,3,5-trien-2-yl]-4,5-dihydro-1H-imidazol-2-amine
CID 156346170
N'-[amino-[(3-methylcyclohexa-1,3-dien-1-yl)amino]methyl]pyrrolidine-1-carboximidamide
CID 163762524
2-(2,4-diaminocyclobutyl)-1-[(4Z,5Z)-4-ethylideneocta-5,7-dien-2-yl]guanidine
CID 163812149
1-[3-[(1Z,3Z,8Z,10Z)-5,12-dimethylidenecyclododeca-1,3,6,8,10-pentaen-1-yl]propyl]-2-methylguanidine
CID 164071290
CID 173752285
CID 173752285
1-(Diaminomethylidene)-3-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]guanidine
CID 176523951

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine (CID 164965540) is 1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine is C/N=C(/N=C(N)N)NCCC1=CCC(C)=C1.
What is the InChIKey of 1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine?
The InChIKey is INHGPZNAYXSHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8-3-4-9(7-8)5-6-15-11(14-2)16-10(12)13/h4,7H,3,5-6H2,1-2H3,(H5,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine?
1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine has a molecular weight of 221.31 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-methyl-3-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine is sourced from PubChem (CID 164965540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).