(Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine

C12H22N2O — CID 174097581

IUPAC(Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine
SMILESC=CC/C(=C/C/C(CCN)=C(\C)N)OC
InChIInChI=1S/C12H22N2O/c1-4-5-12(15-3)7-6-11(8-9-13)10(2)14/h4,7H,1,5-6,8-9,13-14H2,2-3H3/b11-10-,12-7-
InChIKeyBNWFYOJDVKQOSB-JXEUGJJNSA-N
MW210.32 g/mol
LogP2.06
Rot. Bonds7

About (Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine

(Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine (PubChem CID 174097581) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine
PubChem CID174097581
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine
SMILESC=CC/C(=C/C/C(CCN)=C(\C)N)OC
InChIInChI=1S/C12H22N2O/c1-4-5-12(15-3)7-6-11(8-9-13)10(2)14/h4,7H,1,5-6,8-9,13-14H2,2-3H3/b11-10-,12-7-
InChIKeyBNWFYOJDVKQOSB-JXEUGJJNSA-N
XLogP2.06
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine?
The IUPAC name of (Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine (CID 174097581) is (Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine.
What is the SMILES notation for (Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine?
The canonical SMILES for (Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine is C=CC/C(=C/C/C(CCN)=C(\C)N)OC.
What is the InChIKey of (Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine?
The InChIKey is BNWFYOJDVKQOSB-JXEUGJJNSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-12(15-3)7-6-11(8-9-13)10(2)14/h4,7H,1,5-6,8-9,13-14H2,2-3H3/b11-10-,12-7-.
What are the key properties of (Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine?
(Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2Z)-3-methoxyhexa-2,5-dienyl]pent-3-ene-1,4-diamine is sourced from PubChem (CID 174097581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).