2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine

C10H15N5 — CID 176523674

IUPAC2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine
SMILES[H]/N=C(\N)N=C(N)NC(/C=C\C=C)=C/C=C
InChIInChI=1S/C10H15N5/c1-3-5-7-8(6-4-2)14-10(13)15-9(11)12/h3-7H,1-2H2,(H6,11,12,13,14,15)/b7-5-,8-6+
InChIKeyKFZQHAGUBXYIGE-CGXWXWIYSA-N
MW205.26 g/mol
LogP0.60
Rot. Bonds4

About 2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine

2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine (PubChem CID 176523674) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine.

Molecular Properties

Compound Name2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine
PubChem CID176523674
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine
SMILES[H]/N=C(\N)N=C(N)NC(/C=C\C=C)=C/C=C
InChIInChI=1S/C10H15N5/c1-3-5-7-8(6-4-2)14-10(13)15-9(11)12/h3-7H,1-2H2,(H6,11,12,13,14,15)/b7-5-,8-6+
InChIKeyKFZQHAGUBXYIGE-CGXWXWIYSA-N
XLogP0.60
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine?
The IUPAC name of 2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine (CID 176523674) is 2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine.
What is the SMILES notation for 2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine?
The canonical SMILES for 2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine is [H]/N=C(\N)N=C(N)NC(/C=C\C=C)=C/C=C.
What is the InChIKey of 2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine?
The InChIKey is KFZQHAGUBXYIGE-CGXWXWIYSA-N. The full InChI is InChI=1S/C10H15N5/c1-3-5-7-8(6-4-2)14-10(13)15-9(11)12/h3-7H,1-2H2,(H6,11,12,13,14,15)/b7-5-,8-6+.
What are the key properties of 2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine?
2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine has a molecular weight of 205.26 g/mol, XLogP of 0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine is sourced from PubChem (CID 176523674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).