1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

C10H17N5 — CID 157387943

IUPAC1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(\N)N=C(N)N(C)CC1=CCC=C1
InChIInChI=1S/C10H17N5/c1-13-9(11)14-10(12)15(2)7-8-5-3-4-6-8/h3,5-6H,4,7H2,1-2H3,(H4,11,12,13,14)
InChIKeyBISXMQMITNSTNS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.06
Rot. Bonds2

About 1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (PubChem CID 157387943) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
PubChem CID157387943
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(\N)N=C(N)N(C)CC1=CCC=C1
InChIInChI=1S/C10H17N5/c1-13-9(11)14-10(12)15(2)7-8-5-3-4-6-8/h3,5-6H,4,7H2,1-2H3,(H4,11,12,13,14)
InChIKeyBISXMQMITNSTNS-UHFFFAOYSA-N
XLogP0.06
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.06
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

N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321570
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
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123587776
1-[(2E,4Z)-2,4-dimethylhexa-2,4-dienyl]-1-propylguanidine
CID 139324978
4,5-bis(ethenyl)-N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 142863718
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 143503835
2-[N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylcarbamimidoyl]-1,1-dipropylguanidine
CID 144216890
4-Cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine
CID 149005303
3-(diaminomethylidene)-1-[(3Z,5Z)-8-[[N-(diaminomethylidene)carbamimidoyl]-methylamino]octa-3,5-dienyl]-1-methylguanidine
CID 149426013
1-[(3Z,5Z)-8-[(N'-carbamimidoylcarbamimidoyl)-methylamino]octa-3,5-dienyl]-3-(diaminomethylidene)-1-methylguanidine
CID 176533080
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(N,N-dimethylcarbamimidoyl)-2-methylguanidine
CID 176543827
3-(Diaminomethylidene)-1-methyl-1-(2-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099843

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The IUPAC name of 1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (CID 157387943) is 1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.
What is the SMILES notation for 1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The canonical SMILES for 1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is C/N=C(\N)N=C(N)N(C)CC1=CCC=C1.
What is the InChIKey of 1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The InChIKey is BISXMQMITNSTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-13-9(11)14-10(12)15(2)7-8-5-3-4-6-8/h3,5-6H,4,7H2,1-2H3,(H4,11,12,13,14).
What are the key properties of 1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine has a molecular weight of 207.28 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is sourced from PubChem (CID 157387943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).