(2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine

C15H28N2 — CID 121388613

IUPAC(2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine
SMILESC=C(C)/C(=C\C(N)=C/C)CN(CC)C(C)(C)C
InChIInChI=1S/C15H28N2/c1-8-14(16)10-13(12(3)4)11-17(9-2)15(5,6)7/h8,10H,3,9,11,16H2,1-2,4-7H3/b13-10-,14-8-
InChIKeyCNYLCNYCRDYROU-RRSUZHDMSA-N
MW236.40 g/mol
LogP3.47
Rot. Bonds5

About (2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine

(2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine (PubChem CID 121388613) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine.

Molecular Properties

Compound Name(2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine
PubChem CID121388613
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine
SMILESC=C(C)/C(=C\C(N)=C/C)CN(CC)C(C)(C)C
InChIInChI=1S/C15H28N2/c1-8-14(16)10-13(12(3)4)11-17(9-2)15(5,6)7/h8,10H,3,9,11,16H2,1-2,4-7H3/b13-10-,14-8-
InChIKeyCNYLCNYCRDYROU-RRSUZHDMSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
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,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine?
The IUPAC name of (2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine (CID 121388613) is (2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine.
What is the SMILES notation for (2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine?
The canonical SMILES for (2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine is C=C(C)/C(=C\C(N)=C/C)CN(CC)C(C)(C)C.
What is the InChIKey of (2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine?
The InChIKey is CNYLCNYCRDYROU-RRSUZHDMSA-N. The full InChI is InChI=1S/C15H28N2/c1-8-14(16)10-13(12(3)4)11-17(9-2)15(5,6)7/h8,10H,3,9,11,16H2,1-2,4-7H3/b13-10-,14-8-.
What are the key properties of (2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine?
(2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine has a molecular weight of 236.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-N-tert-butyl-1-N-ethyl-2-prop-1-en-2-ylhexa-2,4-diene-1,4-diamine is sourced from PubChem (CID 121388613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).