ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine

C10H20N2 — CID 142087922

IUPACethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
SMILESC=C/C=C\C(CNC)=N\C.CC
InChIInChI=1S/C8H14N2.C2H6/c1-4-5-6-8(10-3)7-9-2;1-2/h4-6,9H,1,7H2,2-3H3;1-2H3/b6-5-,10-8-;
InChIKeyYJEPJHQVCKGKHJ-WXKPPQSVSA-N
MW168.28 g/mol
LogP2.05
Rot. Bonds4

About ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine

ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine (PubChem CID 142087922) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine.

Molecular Properties

Compound Nameethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
PubChem CID142087922
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
SMILESC=C/C=C\C(CNC)=N\C.CC
InChIInChI=1S/C8H14N2.C2H6/c1-4-5-6-8(10-3)7-9-2;1-2/h4-6,9H,1,7H2,2-3H3;1-2H3/b6-5-,10-8-;
InChIKeyYJEPJHQVCKGKHJ-WXKPPQSVSA-N
XLogP2.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine?
The IUPAC name of ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine (CID 142087922) is ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine.
What is the SMILES notation for ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine?
The canonical SMILES for ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine is C=C/C=C\C(CNC)=N\C.CC.
What is the InChIKey of ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine?
The InChIKey is YJEPJHQVCKGKHJ-WXKPPQSVSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-4-5-6-8(10-3)7-9-2;1-2/h4-6,9H,1,7H2,2-3H3;1-2H3/b6-5-,10-8-;.
What are the key properties of ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine?
ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine is sourced from PubChem (CID 142087922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).