1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine

C15H25N3 — CID 123240595

IUPAC1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine
SMILES[H]/N=C(\N)N=C(C)/C(=C\C=CC)C(=CCC)CCC
InChIInChI=1S/C15H25N3/c1-5-8-11-14(12(4)18-15(16)17)13(9-6-2)10-7-3/h5,8-9,11H,6-7,10H2,1-4H3,(H3,16,17)/b8-5?,13-9?,14-11+,18-12?
InChIKeyXGBHVGHKKAIKBO-AVSACSRMSA-N
MW247.39 g/mol
LogP3.98
Rot. Bonds6

About 1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine

1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine (PubChem CID 123240595) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine.

Molecular Properties

Compound Name1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine
PubChem CID123240595
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine
SMILES[H]/N=C(\N)N=C(C)/C(=C\C=CC)C(=CCC)CCC
InChIInChI=1S/C15H25N3/c1-5-8-11-14(12(4)18-15(16)17)13(9-6-2)10-7-3/h5,8-9,11H,6-7,10H2,1-4H3,(H3,16,17)/b8-5?,13-9?,14-11+,18-12?
InChIKeyXGBHVGHKKAIKBO-AVSACSRMSA-N
XLogP3.98
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.98
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

1-[(5Z,7E)-5-ethenyl-8-fluoronona-5,7-dien-2-ylidene]-2-methylguanidine
CID 173349535
3-ethyl-2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89231732
N-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 89952669
(4Z,6E)-7-methyldodeca-4,6-dien-3-imine
CID 90392057
N-[(Z)-oct-2-en-4-ylidene]methanimidamide
CID 118327149
(Z)-4,5-dimethylidene-3-propan-2-ylidenenon-6-en-2-imine
CID 123145670
1-[[(2E)-8-methylidenedeca-2,9-dien-4-ylidene]amino]propan-1-amine
CID 123286955
(6Z)-8-methyl-4,5-dimethylidene-3-propan-2-ylidenenona-6,8-dien-2-imine
CID 123327586
(Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide
CID 123462386
1-[(3Z)-3-methylhepta-3,5-dien-2-ylidene]guanidine
CID 123634847
9-Methyl-6-methylidenedeca-7,9-dien-2-imine
CID 123858436
ethane;(4E,5Z)-4-ethylideneocta-5,7-diene-2,3-diimine
CID 143289803

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine?
The IUPAC name of 1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine (CID 123240595) is 1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine.
What is the SMILES notation for 1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine?
The canonical SMILES for 1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine is [H]/N=C(\N)N=C(C)/C(=C\C=CC)C(=CCC)CCC.
What is the InChIKey of 1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine?
The InChIKey is XGBHVGHKKAIKBO-AVSACSRMSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-8-11-14(12(4)18-15(16)17)13(9-6-2)10-7-3/h5,8-9,11H,6-7,10H2,1-4H3,(H3,16,17)/b8-5?,13-9?,14-11+,18-12?.
What are the key properties of 1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine?
1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine has a molecular weight of 247.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine is sourced from PubChem (CID 123240595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).