(1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine

C11H20N2 — CID 89364339

IUPAC(1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine
SMILESC=C(/C=C\C=C/N)CCNCCC
InChIInChI=1S/C11H20N2/c1-3-9-13-10-7-11(2)6-4-5-8-12/h4-6,8,13H,2-3,7,9-10,12H2,1H3/b6-4-,8-5-
InChIKeyFFHUHOGJQAMWQM-VXWIUBPCSA-N
MW180.29 g/mol
LogP1.96
Rot. Bonds7

About (1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine

(1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine (PubChem CID 89364339) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine.

Molecular Properties

Compound Name(1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine
PubChem CID89364339
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine
SMILESC=C(/C=C\C=C/N)CCNCCC
InChIInChI=1S/C11H20N2/c1-3-9-13-10-7-11(2)6-4-5-8-12/h4-6,8,13H,2-3,7,9-10,12H2,1H3/b6-4-,8-5-
InChIKeyFFHUHOGJQAMWQM-VXWIUBPCSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine?
The IUPAC name of (1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine (CID 89364339) is (1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine.
What is the SMILES notation for (1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine?
The canonical SMILES for (1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine is C=C(/C=C\C=C/N)CCNCCC.
What is the InChIKey of (1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine?
The InChIKey is FFHUHOGJQAMWQM-VXWIUBPCSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-9-13-10-7-11(2)6-4-5-8-12/h4-6,8,13H,2-3,7,9-10,12H2,1H3/b6-4-,8-5-.
What are the key properties of (1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine?
(1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine is sourced from PubChem (CID 89364339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).