N'-[(Z)-hex-2-enyl]-N-methylmethanediamine

C8H18N2 — CID 121420092

IUPACN'-[(Z)-hex-2-enyl]-N-methylmethanediamine
SMILESCCC/C=C\CNCNC
InChIInChI=1S/C8H18N2/c1-3-4-5-6-7-10-8-9-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyMJVFBVKWBDBARP-WAYWQWQTSA-N
MW142.25 g/mol
LogP1.11
Rot. Bonds6

About N'-[(Z)-hex-2-enyl]-N-methylmethanediamine

N'-[(Z)-hex-2-enyl]-N-methylmethanediamine (PubChem CID 121420092) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-[(Z)-hex-2-enyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[(Z)-hex-2-enyl]-N-methylmethanediamine
PubChem CID121420092
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-[(Z)-hex-2-enyl]-N-methylmethanediamine
SMILESCCC/C=C\CNCNC
InChIInChI=1S/C8H18N2/c1-3-4-5-6-7-10-8-9-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyMJVFBVKWBDBARP-WAYWQWQTSA-N
XLogP1.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-hex-2-enyl]-N-methylmethanediamine?
The IUPAC name of N'-[(Z)-hex-2-enyl]-N-methylmethanediamine (CID 121420092) is N'-[(Z)-hex-2-enyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[(Z)-hex-2-enyl]-N-methylmethanediamine?
The canonical SMILES for N'-[(Z)-hex-2-enyl]-N-methylmethanediamine is CCC/C=C\CNCNC.
What is the InChIKey of N'-[(Z)-hex-2-enyl]-N-methylmethanediamine?
The InChIKey is MJVFBVKWBDBARP-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-4-5-6-7-10-8-9-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5-.
What are the key properties of N'-[(Z)-hex-2-enyl]-N-methylmethanediamine?
N'-[(Z)-hex-2-enyl]-N-methylmethanediamine has a molecular weight of 142.25 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-hex-2-enyl]-N-methylmethanediamine is sourced from PubChem (CID 121420092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).