N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide

C8H14N2 — CID 155220394

IUPACN-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide
SMILES[H]/N=C/N(C)/C(C)=C/C=C\C
InChIInChI=1S/C8H14N2/c1-4-5-6-8(2)10(3)7-9/h4-7,9H,1-3H3/b5-4-,8-6+,9-7+
InChIKeyLRDSHWUUYAXTAL-YJTPIVBQSA-N
MW138.21 g/mol
LogP2.01
Rot. Bonds3

About N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide

N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide (PubChem CID 155220394) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide
PubChem CID155220394
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide
SMILES[H]/N=C/N(C)/C(C)=C/C=C\C
InChIInChI=1S/C8H14N2/c1-4-5-6-8(2)10(3)7-9/h4-7,9H,1-3H3/b5-4-,8-6+,9-7+
InChIKeyLRDSHWUUYAXTAL-YJTPIVBQSA-N
XLogP2.01
TPSA27.09 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 ≤ 52.01
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-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide?
The IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide (CID 155220394) is N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide.
What is the SMILES notation for N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide?
The canonical SMILES for N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide is [H]/N=C/N(C)/C(C)=C/C=C\C.
What is the InChIKey of N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide?
The InChIKey is LRDSHWUUYAXTAL-YJTPIVBQSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-6-8(2)10(3)7-9/h4-7,9H,1-3H3/b5-4-,8-6+,9-7+.
What are the key properties of N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide?
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylmethanimidamide is sourced from PubChem (CID 155220394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).