N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide

C17H32N2 — CID 129033729

IUPACN'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide
SMILESC=C/C=C(\N=C\N)C(C)(CCCC)CCCCCC
InChIInChI=1S/C17H32N2/c1-5-8-10-11-14-17(4,13-9-6-2)16(12-7-3)19-15-18/h7,12,15H,3,5-6,8-11,13-14H2,1-2,4H3,(H2,18,19)/b16-12-
InChIKeyUMHMCUPWWGRCCM-VBKFSLOCSA-N
MW264.46 g/mol
LogP5.21
Rot. Bonds11

About N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide

N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide (PubChem CID 129033729) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide
PubChem CID129033729
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide
SMILESC=C/C=C(\N=C\N)C(C)(CCCC)CCCCCC
InChIInChI=1S/C17H32N2/c1-5-8-10-11-14-17(4,13-9-6-2)16(12-7-3)19-15-18/h7,12,15H,3,5-6,8-11,13-14H2,1-2,4H3,(H2,18,19)/b16-12-
InChIKeyUMHMCUPWWGRCCM-VBKFSLOCSA-N
XLogP5.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide?
The IUPAC name of N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide (CID 129033729) is N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide.
What is the SMILES notation for N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide?
The canonical SMILES for N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide is C=C/C=C(\N=C\N)C(C)(CCCC)CCCCCC.
What is the InChIKey of N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide?
The InChIKey is UMHMCUPWWGRCCM-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-8-10-11-14-17(4,13-9-6-2)16(12-7-3)19-15-18/h7,12,15H,3,5-6,8-11,13-14H2,1-2,4H3,(H2,18,19)/b16-12-.
What are the key properties of N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide?
N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide has a molecular weight of 264.46 g/mol, XLogP of 5.21, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-5-butyl-5-methylundeca-1,3-dien-4-yl]methanimidamide is sourced from PubChem (CID 129033729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).