N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide

C10H18N2 — CID 170046310

IUPACN'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide
SMILESC/C=C\C=C(/N=C/N)C(C)CC
InChIInChI=1S/C10H18N2/c1-4-6-7-10(12-8-11)9(3)5-2/h4,6-9H,5H2,1-3H3,(H2,11,12)/b6-4-,10-7-
InChIKeyUNXDRGMQQFNDEI-KFUKRSJGSA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds4

About N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide

N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide (PubChem CID 170046310) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide
PubChem CID170046310
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide
SMILESC/C=C\C=C(/N=C/N)C(C)CC
InChIInChI=1S/C10H18N2/c1-4-6-7-10(12-8-11)9(3)5-2/h4,6-9H,5H2,1-3H3,(H2,11,12)/b6-4-,10-7-
InChIKeyUNXDRGMQQFNDEI-KFUKRSJGSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide?
The IUPAC name of N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide (CID 170046310) is N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide.
What is the SMILES notation for N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide?
The canonical SMILES for N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide is C/C=C\C=C(/N=C/N)C(C)CC.
What is the InChIKey of N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide?
The InChIKey is UNXDRGMQQFNDEI-KFUKRSJGSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-7-10(12-8-11)9(3)5-2/h4,6-9H,5H2,1-3H3,(H2,11,12)/b6-4-,10-7-.
What are the key properties of N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide?
N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]methanimidamide is sourced from PubChem (CID 170046310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).