1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine

C11H19N5 — CID 159423174

IUPAC1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine
SMILESCC1=C(C/N=C(\N)N=C(N)N(C)C)C=CC1
InChIInChI=1S/C11H19N5/c1-8-5-4-6-9(8)7-14-10(12)15-11(13)16(2)3/h4,6H,5,7H2,1-3H3,(H4,12,13,14,15)
InChIKeyNFRWPCBAMSNXJW-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.45
Rot. Bonds2

About 1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine

1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine (PubChem CID 159423174) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine
PubChem CID159423174
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine
SMILESCC1=C(C/N=C(\N)N=C(N)N(C)C)C=CC1
InChIInChI=1S/C11H19N5/c1-8-5-4-6-9(8)7-14-10(12)15-11(13)16(2)3/h4,6H,5,7H2,1-3H3,(H4,12,13,14,15)
InChIKeyNFRWPCBAMSNXJW-UHFFFAOYSA-N
XLogP0.45
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.45
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'}

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Related Compounds

(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine
CID 143157332
ethane;2-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]guanidine
CID 145113577
4-Cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine
CID 149005303
2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine
CID 156509738
1-[N'-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamimidoyl]-2-ethylguanidine
CID 164603199
2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine
CID 142229286
1,1-dimethyl-2-[1-[(4Z)-3-methylidene-4-(2-methylpropylidene)cyclohexa-1,5-dien-1-yl]but-3-enyl]guanidine
CID 145460535
3-(Diaminomethylidene)-1-methyl-1-(2-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099843
1,1-dimethyl-2-[N'-(5-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
CID 157099845
1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
CID 157099846
1,1-dimethyl-2-[N'-(2-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
CID 157099847
2-methyl-6-[(2-methylcyclopenta-1,4-dien-1-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 157151383

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine?
The IUPAC name of 1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine (CID 159423174) is 1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine.
What is the SMILES notation for 1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine?
The canonical SMILES for 1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine is CC1=C(C/N=C(\N)N=C(N)N(C)C)C=CC1.
What is the InChIKey of 1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine?
The InChIKey is NFRWPCBAMSNXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8-5-4-6-9(8)7-14-10(12)15-11(13)16(2)3/h4,6H,5,7H2,1-3H3,(H4,12,13,14,15).
What are the key properties of 1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine?
1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine has a molecular weight of 221.31 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine is sourced from PubChem (CID 159423174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).