N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine

C8H16N2 — CID 121420147

IUPACN'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine
SMILESC=C/C=C\C(C)NCNC
InChIInChI=1S/C8H16N2/c1-4-5-6-8(2)10-7-9-3/h4-6,8-10H,1,7H2,2-3H3/b6-5-
InChIKeyHADOGZQLWDWIFU-WAYWQWQTSA-N
MW140.23 g/mol
LogP0.88
Rot. Bonds5

About N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine

N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine (PubChem CID 121420147) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine
PubChem CID121420147
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine
SMILESC=C/C=C\C(C)NCNC
InChIInChI=1S/C8H16N2/c1-4-5-6-8(2)10-7-9-3/h4-6,8-10H,1,7H2,2-3H3/b6-5-
InChIKeyHADOGZQLWDWIFU-WAYWQWQTSA-N
XLogP0.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine?
The IUPAC name of N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine (CID 121420147) is N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine.
What is the SMILES notation for N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine?
The canonical SMILES for N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine is C=C/C=C\C(C)NCNC.
What is the InChIKey of N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine?
The InChIKey is HADOGZQLWDWIFU-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-6-8(2)10-7-9-3/h4-6,8-10H,1,7H2,2-3H3/b6-5-.
What are the key properties of N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine?
N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine has a molecular weight of 140.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine is sourced from PubChem (CID 121420147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).