N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide

C9H18N2 — CID 166738295

IUPACN-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)/C(=C\C)CCC
InChIInChI=1S/C9H18N2/c1-5-7-9(6-2)11(4)8(3)10/h6,10H,5,7H2,1-4H3/b9-6-,10-8+
InChIKeyQIIFFCJQPTYKGG-NULKZJHKSA-N
MW154.26 g/mol
LogP2.62
Rot. Bonds3

About N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide

N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide (PubChem CID 166738295) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide
PubChem CID166738295
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)/C(=C\C)CCC
InChIInChI=1S/C9H18N2/c1-5-7-9(6-2)11(4)8(3)10/h6,10H,5,7H2,1-4H3/b9-6-,10-8+
InChIKeyQIIFFCJQPTYKGG-NULKZJHKSA-N
XLogP2.62
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.62
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide?
The IUPAC name of N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide (CID 166738295) is N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide.
What is the SMILES notation for N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide?
The canonical SMILES for N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide is [H]/N=C(\C)N(C)/C(=C\C)CCC.
What is the InChIKey of N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide?
The InChIKey is QIIFFCJQPTYKGG-NULKZJHKSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7-9(6-2)11(4)8(3)10/h6,10H,5,7H2,1-4H3/b9-6-,10-8+.
What are the key properties of N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide?
N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-2-en-3-yl]-N-methylethanimidamide is sourced from PubChem (CID 166738295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).