(Z)-N'-methylhex-3-ene-1,6-diamine

C7H16N2 — CID 58788122

IUPAC(Z)-N'-methylhex-3-ene-1,6-diamine
SMILESCNCC/C=C\CCN
InChIInChI=1S/C7H16N2/c1-9-7-5-3-2-4-6-8/h2-3,9H,4-8H2,1H3/b3-2-
InChIKeyOITAFDPKTZUJHG-IHWYPQMZSA-N
MW128.22 g/mol
LogP0.50
Rot. Bonds5

About (Z)-N'-methylhex-3-ene-1,6-diamine

(Z)-N'-methylhex-3-ene-1,6-diamine (PubChem CID 58788122) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (Z)-N'-methylhex-3-ene-1,6-diamine.

Molecular Properties

Compound Name(Z)-N'-methylhex-3-ene-1,6-diamine
PubChem CID58788122
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(Z)-N'-methylhex-3-ene-1,6-diamine
SMILESCNCC/C=C\CCN
InChIInChI=1S/C7H16N2/c1-9-7-5-3-2-4-6-8/h2-3,9H,4-8H2,1H3/b3-2-
InChIKeyOITAFDPKTZUJHG-IHWYPQMZSA-N
XLogP0.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methylhex-3-ene-1,6-diamine?
The IUPAC name of (Z)-N'-methylhex-3-ene-1,6-diamine (CID 58788122) is (Z)-N'-methylhex-3-ene-1,6-diamine.
What is the SMILES notation for (Z)-N'-methylhex-3-ene-1,6-diamine?
The canonical SMILES for (Z)-N'-methylhex-3-ene-1,6-diamine is CNCC/C=C\CCN.
What is the InChIKey of (Z)-N'-methylhex-3-ene-1,6-diamine?
The InChIKey is OITAFDPKTZUJHG-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H16N2/c1-9-7-5-3-2-4-6-8/h2-3,9H,4-8H2,1H3/b3-2-.
What are the key properties of (Z)-N'-methylhex-3-ene-1,6-diamine?
(Z)-N'-methylhex-3-ene-1,6-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methylhex-3-ene-1,6-diamine is sourced from PubChem (CID 58788122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).