2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine

C10H19N3 — CID 89149541

IUPAC2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine
SMILESC=C/C(CC)=C(\N=C(N)N)C(C)C
InChIInChI=1S/C10H19N3/c1-5-8(6-2)9(7(3)4)13-10(11)12/h5,7H,1,6H2,2-4H3,(H4,11,12,13)/b9-8+
InChIKeyFVMVJMLJYWBPND-CMDGGOBGSA-N
MW181.28 g/mol
LogP1.77
Rot. Bonds4

About 2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine

2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine (PubChem CID 89149541) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine.

Molecular Properties

Compound Name2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine
PubChem CID89149541
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine
SMILESC=C/C(CC)=C(\N=C(N)N)C(C)C
InChIInChI=1S/C10H19N3/c1-5-8(6-2)9(7(3)4)13-10(11)12/h5,7H,1,6H2,2-4H3,(H4,11,12,13)/b9-8+
InChIKeyFVMVJMLJYWBPND-CMDGGOBGSA-N
XLogP1.77
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.77
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine?
The IUPAC name of 2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine (CID 89149541) is 2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine.
What is the SMILES notation for 2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine?
The canonical SMILES for 2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine is C=C/C(CC)=C(\N=C(N)N)C(C)C.
What is the InChIKey of 2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine?
The InChIKey is FVMVJMLJYWBPND-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-8(6-2)9(7(3)4)13-10(11)12/h5,7H,1,6H2,2-4H3,(H4,11,12,13)/b9-8+.
What are the key properties of 2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine?
2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine has a molecular weight of 181.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine is sourced from PubChem (CID 89149541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).