1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine

C17H31N3 — CID 163066373

IUPAC1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine
SMILESCC(C)=CCCN/C(=N\CC=C(C)C)NCC=C(C)C
InChIInChI=1S/C17H31N3/c1-14(2)8-7-11-18-17(19-12-9-15(3)4)20-13-10-16(5)6/h8-10H,7,11-13H2,1-6H3,(H2,18,19,20)
InChIKeyYPDANSJNZDSECQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.81
Rot. Bonds7

About 1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine

1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine (PubChem CID 163066373) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine.

Molecular Properties

Compound Name1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine
PubChem CID163066373
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine
SMILESCC(C)=CCCN/C(=N\CC=C(C)C)NCC=C(C)C
InChIInChI=1S/C17H31N3/c1-14(2)8-7-11-18-17(19-12-9-15(3)4)20-13-10-16(5)6/h8-10H,7,11-13H2,1-6H3,(H2,18,19,20)
InChIKeyYPDANSJNZDSECQ-UHFFFAOYSA-N
XLogP3.81
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.81
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pterogynidine
CID 10035557
Nitensidine A
CID 10246147
1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
1,2-Bis(3,7-dimethylocta-2,6-dienyl)guanidine
CID 162820217
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
1-(6-Aminohexyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661450
1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
N-[(E)-4-methylpent-2-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 60052226
1-(4-Aminobutyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780050
1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
CID 90337090
1,1,2-Trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
CID 123410965
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 143503835

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine?
The IUPAC name of 1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine (CID 163066373) is 1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine.
What is the SMILES notation for 1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine?
The canonical SMILES for 1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine is CC(C)=CCCN/C(=N\CC=C(C)C)NCC=C(C)C.
What is the InChIKey of 1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine?
The InChIKey is YPDANSJNZDSECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14(2)8-7-11-18-17(19-12-9-15(3)4)20-13-10-16(5)6/h8-10H,7,11-13H2,1-6H3,(H2,18,19,20).
What are the key properties of 1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine?
1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine has a molecular weight of 277.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)guanidine is sourced from PubChem (CID 163066373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).