1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine

C8H13N5 — CID 157078724

IUPAC1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine
SMILESC/N=C(/N=C(N)N)NC1=CCC=C1
InChIInChI=1S/C8H13N5/c1-11-8(13-7(9)10)12-6-4-2-3-5-6/h2,4-5H,3H2,1H3,(H5,9,10,11,12,13)
InChIKeyPHQWEWXCWDVGGP-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.32
Rot. Bonds1

About 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine

1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine (PubChem CID 157078724) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine
PubChem CID157078724
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine
SMILESC/N=C(/N=C(N)N)NC1=CCC=C1
InChIInChI=1S/C8H13N5/c1-11-8(13-7(9)10)12-6-4-2-3-5-6/h2,4-5H,3H2,1H3,(H5,9,10,11,12,13)
InChIKeyPHQWEWXCWDVGGP-UHFFFAOYSA-N
XLogP-0.32
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.32
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

N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide
CID 135243160
2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine
CID 139305711
2-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]guanidine
CID 142083489
1-Cyclohexa-1,5-dien-1-yl-2-methylguanidine
CID 143088471
2-methyl-1-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]guanidine
CID 144190799
ethane;2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine
CID 145203944
[Amino-(cyclohexa-1,5-dien-1-ylamino)methylidene]-methylazanium;ethane
CID 145594549
1-Cyclohepta-1,3,6-trien-1-yl-3-(diaminomethylidene)-2-methylguanidine
CID 145606983
4,6-dimethyl-1H-pyrimidine-2,4-diamine
CID 154451700
[Amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium
CID 154623196
(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-amine
CID 156233824
2-methyl-1-[(E)-1-[[(3Z,5Z)-nona-1,3,5-trien-2-yl]amino]pent-1-enyl]guanidine
CID 156457132

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine (CID 157078724) is 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine is C/N=C(/N=C(N)N)NC1=CCC=C1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine?
The InChIKey is PHQWEWXCWDVGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-11-8(13-7(9)10)12-6-4-2-3-5-6/h2,4-5H,3H2,1H3,(H5,9,10,11,12,13).
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine?
1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine has a molecular weight of 179.23 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine is sourced from PubChem (CID 157078724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).