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

C10H17N5 — CID 165091863

IUPAC1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine
SMILESC/N=C(/N=C(N)N)NCC1=C(C)CC=C1
InChIInChI=1S/C10H17N5/c1-7-4-3-5-8(7)6-14-10(13-2)15-9(11)12/h3,5H,4,6H2,1-2H3,(H5,11,12,13,14,15)
InChIKeyCUIDSEGTWBXYDM-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.11
Rot. Bonds2

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

1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine (PubChem CID 165091863) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine
PubChem CID165091863
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine
SMILESC/N=C(/N=C(N)N)NCC1=C(C)CC=C1
InChIInChI=1S/C10H17N5/c1-7-4-3-5-8(7)6-14-10(13-2)15-9(11)12/h3,5H,4,6H2,1-2H3,(H5,11,12,13,14,15)
InChIKeyCUIDSEGTWBXYDM-UHFFFAOYSA-N
XLogP0.11
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.11
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-(Diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
CID 123187756
6-N-(2-ethylpenta-2,4-dienyl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 123354238
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'-[(E)-1-[[(2E)-2,4-dimethylpenta-2,4-dienyl]amino]-2-methylbut-2-enyl]methanimidamide
CID 145011924
N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 146653890
4-Cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine
CID 149005303
2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine
CID 155371886
2-[Amino-[(3-iodocyclohexa-1,5-dien-1-yl)methylamino]methyl]guanidine
CID 163619572
1-[(Z,2E)-2-ethylidenepent-3-enyl]-2-methyl-3-propylideneguanidine
CID 173871389
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(N,N-dimethylcarbamimidoyl)-2-methylguanidine
CID 176543827
2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine
CID 142199276
2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine
CID 143590505

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine (CID 165091863) is 1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine is C/N=C(/N=C(N)N)NCC1=C(C)CC=C1.
What is the InChIKey of 1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine?
The InChIKey is CUIDSEGTWBXYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-7-4-3-5-8(7)6-14-10(13-2)15-9(11)12/h3,5H,4,6H2,1-2H3,(H5,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine?
1-(diaminomethylidene)-2-methyl-3-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine has a molecular weight of 207.28 g/mol, XLogP of 0.11, 2 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-methylcyclopenta-1,4-dien-1-yl)methyl]guanidine is sourced from PubChem (CID 165091863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).