(2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine

C9H16N2 — CID 137400369

IUPAC(2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine
SMILESC=CCN/C(CC=C)=C(/C)N
InChIInChI=1S/C9H16N2/c1-4-6-9(8(3)10)11-7-5-2/h4-5,11H,1-2,6-7,10H2,3H3/b9-8-
InChIKeyQXSBUVVYTOEOQM-HJWRWDBZSA-N
MW152.24 g/mol
LogP1.53
Rot. Bonds5

About (2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine

(2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine (PubChem CID 137400369) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine.

Molecular Properties

Compound Name(2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine
PubChem CID137400369
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine
SMILESC=CCN/C(CC=C)=C(/C)N
InChIInChI=1S/C9H16N2/c1-4-6-9(8(3)10)11-7-5-2/h4-5,11H,1-2,6-7,10H2,3H3/b9-8-
InChIKeyQXSBUVVYTOEOQM-HJWRWDBZSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine?
The IUPAC name of (2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine (CID 137400369) is (2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine.
What is the SMILES notation for (2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine?
The canonical SMILES for (2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine is C=CCN/C(CC=C)=C(/C)N.
What is the InChIKey of (2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine?
The InChIKey is QXSBUVVYTOEOQM-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-9(8(3)10)11-7-5-2/h4-5,11H,1-2,6-7,10H2,3H3/b9-8-.
What are the key properties of (2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine?
(2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine is sourced from PubChem (CID 137400369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).