N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide

C8H14N2 — CID 130369590

IUPACN'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide
SMILESC=C/C=C(\N=C\N)C(C)C
InChIInChI=1S/C8H14N2/c1-4-5-8(7(2)3)10-6-9/h4-7H,1H2,2-3H3,(H2,9,10)/b8-5-
InChIKeyPTAGZVPXCOZYLV-YVMONPNESA-N
MW138.21 g/mol
LogP1.70
Rot. Bonds3

About N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide

N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide (PubChem CID 130369590) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide
PubChem CID130369590
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide
SMILESC=C/C=C(\N=C\N)C(C)C
InChIInChI=1S/C8H14N2/c1-4-5-8(7(2)3)10-6-9/h4-7H,1H2,2-3H3,(H2,9,10)/b8-5-
InChIKeyPTAGZVPXCOZYLV-YVMONPNESA-N
XLogP1.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.70
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'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide?
The IUPAC name of N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide (CID 130369590) is N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide.
What is the SMILES notation for N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide?
The canonical SMILES for N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide is C=C/C=C(\N=C\N)C(C)C.
What is the InChIKey of N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide?
The InChIKey is PTAGZVPXCOZYLV-YVMONPNESA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-8(7(2)3)10-6-9/h4-7H,1H2,2-3H3,(H2,9,10)/b8-5-.
What are the key properties of N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide?
N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-2-methylhexa-3,5-dien-3-yl]methanimidamide is sourced from PubChem (CID 130369590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).