(2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine

C9H16N2 — CID 89339501

IUPAC(2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine
SMILESC=C(C)NC/C(N)=C\C=C/C
InChIInChI=1S/C9H16N2/c1-4-5-6-9(10)7-11-8(2)3/h4-6,11H,2,7,10H2,1,3H3/b5-4-,9-6+
InChIKeyHNYLRJUZEPOILT-KMOPYBJPSA-N
MW152.24 g/mol
LogP1.53
Rot. Bonds4

About (2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine

(2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine (PubChem CID 89339501) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name(2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine
PubChem CID89339501
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine
SMILESC=C(C)NC/C(N)=C\C=C/C
InChIInChI=1S/C9H16N2/c1-4-5-6-9(10)7-11-8(2)3/h4-6,11H,2,7,10H2,1,3H3/b5-4-,9-6+
InChIKeyHNYLRJUZEPOILT-KMOPYBJPSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine?
The IUPAC name of (2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine (CID 89339501) is (2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine.
What is the SMILES notation for (2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine?
The canonical SMILES for (2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine is C=C(C)NC/C(N)=C\C=C/C.
What is the InChIKey of (2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine?
The InChIKey is HNYLRJUZEPOILT-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-6-9(10)7-11-8(2)3/h4-6,11H,2,7,10H2,1,3H3/b5-4-,9-6+.
What are the key properties of (2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine?
(2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-N-prop-1-en-2-ylhexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 89339501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).