2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine

C9H17N3 — CID 89938679

IUPAC2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine
SMILESCCC/C(=C(\C)/N=C(N)N)/C=C
InChIInChI=1S/C9H17N3/c1-4-6-8(5-2)7(3)12-9(10)11/h5H,2,4,6H2,1,3H3,(H4,10,11,12)/b8-7+
InChIKeyULDNEAJNSJIATI-BQYQJAHWSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds4

About 2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine

2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine (PubChem CID 89938679) has the molecular formula C9H17N3 and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine.

Molecular Properties

Compound Name2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine
PubChem CID89938679
Molecular FormulaC9H17N3
Molecular Weight167.25 g/mol
Exact Mass167.14
IUPAC Name2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine
SMILESCCC/C(=C(\C)/N=C(N)N)/C=C
InChIInChI=1S/C9H17N3/c1-4-6-8(5-2)7(3)12-9(10)11/h5H,2,4,6H2,1,3H3,(H4,10,11,12)/b8-7+
InChIKeyULDNEAJNSJIATI-BQYQJAHWSA-N
XLogP2.00
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity210

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
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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Related Compounds

N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine
CID 89149541
2-[(3Z)-4-methylhexa-3,5-dien-3-yl]guanidine
CID 89938703
2-(3-Ethenylpenta-2,4-dien-2-yl)guanidine
CID 89938704
2-(4-Ethenylhexa-3,5-dien-3-yl)guanidine
CID 117884210
2-[(2Z)-3-methylpenta-2,4-dien-2-yl]guanidine
CID 117884212
2-[(2E)-3-tert-butylpenta-2,4-dien-2-yl]guanidine
CID 117884336
(2E,5Z,6Z)-2-amino-3-ethenyl-5-ethylidene-N'-methylocta-2,6-dienimidamide
CID 126676681
N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide
CID 138473649
N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide
CID 139294854
2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine
CID 139395272
2-(1-Cyclohepta-1,3,5-trien-1-yl-2-methylprop-1-enyl)-1-methylideneguanidine
CID 142258044

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine?
The IUPAC name of 2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine (CID 89938679) is 2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine.
What is the SMILES notation for 2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine?
The canonical SMILES for 2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine is CCC/C(=C(\C)/N=C(N)N)/C=C.
What is the InChIKey of 2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine?
The InChIKey is ULDNEAJNSJIATI-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-6-8(5-2)7(3)12-9(10)11/h5H,2,4,6H2,1,3H3,(H4,10,11,12)/b8-7+.
What are the key properties of 2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine?
2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine has a molecular weight of 167.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine is sourced from PubChem (CID 89938679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).