1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine

C17H31N3 — CID 143309212

IUPAC1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine
SMILESC=C(CC)N/C(N)=N/C/C=C\C(=C/C)CCCCCC
InChIInChI=1S/C17H31N3/c1-5-8-9-10-12-16(7-3)13-11-14-19-17(18)20-15(4)6-2/h7,11,13H,4-6,8-10,12,14H2,1-3H3,(H3,18,19,20)/b13-11-,16-7-
InChIKeyAMYHOWXAMMDVMY-WWJBATGISA-N
MW277.46 g/mol
LogP4.29
Rot. Bonds10

About 1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine

1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine (PubChem CID 143309212) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine
PubChem CID143309212
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine
SMILESC=C(CC)N/C(N)=N/C/C=C\C(=C/C)CCCCCC
InChIInChI=1S/C17H31N3/c1-5-8-9-10-12-16(7-3)13-11-14-19-17(18)20-15(4)6-2/h7,11,13H,4-6,8-10,12,14H2,1-3H3,(H3,18,19,20)/b13-11-,16-7-
InChIKeyAMYHOWXAMMDVMY-WWJBATGISA-N
XLogP4.29
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]guanidine
CID 142083489
2-[(3E)-4,6-dimethyl-3-(2-methylprop-1-enyl)octa-1,3-dien-2-yl]-1-[(3E,5Z)-trideca-1,3,5-trien-4-yl]guanidine
CID 143309257
1-[(3E,6E)-2-amino-4,5-dimethylidene-3,6-bis(prop-2-enylidene)cyclohexen-1-yl]-2-but-3-enylguanidine
CID 143522082
acetylene;heptane;2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine
CID 143590504
2-methyl-1-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]guanidine
CID 144190799
(2E)-4-N-[5-(cyclohexen-1-yl)-4H-pyrimidin-4-id-2-yl]hepta-2,4,6-triene-2,4-diamine;ethane;bis(yttrium)
CID 153343443
(3E)-5-N-[5-(cyclohexen-1-ylmethyl)-4H-pyrimidin-4-id-2-yl]octa-1,3,5,7-tetraene-3,5-diamine;ethane;bis(yttrium)
CID 153343461
1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine
CID 176541292
2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine
CID 143590505

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine?
The IUPAC name of 1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine (CID 143309212) is 1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine.
What is the SMILES notation for 1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine?
The canonical SMILES for 1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine is C=C(CC)N/C(N)=N/C/C=C\C(=C/C)CCCCCC.
What is the InChIKey of 1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine?
The InChIKey is AMYHOWXAMMDVMY-WWJBATGISA-N. The full InChI is InChI=1S/C17H31N3/c1-5-8-9-10-12-16(7-3)13-11-14-19-17(18)20-15(4)6-2/h7,11,13H,4-6,8-10,12,14H2,1-3H3,(H3,18,19,20)/b13-11-,16-7-.
What are the key properties of 1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine?
1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine has a molecular weight of 277.46 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-2-[(Z,4Z)-4-ethylidenedec-2-enyl]guanidine is sourced from PubChem (CID 143309212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).