(2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine

C11H22N2 — CID 142179621

IUPAC(2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine
SMILESC/C(=C\C(N)=C(\C)CN)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-8(7-12)10(13)6-9(2)11(3,4)5/h6H,7,12-13H2,1-5H3/b9-6+,10-8+
InChIKeyPUOCXTCTGBMQGK-OAMUUVBCSA-N
MW182.31 g/mol
LogP2.17
Rot. Bonds2

About (2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine

(2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine (PubChem CID 142179621) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine.

Molecular Properties

Compound Name(2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine
PubChem CID142179621
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine
SMILESC/C(=C\C(N)=C(\C)CN)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-8(7-12)10(13)6-9(2)11(3,4)5/h6H,7,12-13H2,1-5H3/b9-6+,10-8+
InChIKeyPUOCXTCTGBMQGK-OAMUUVBCSA-N
XLogP2.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.17
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,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine?
The IUPAC name of (2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine (CID 142179621) is (2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine.
What is the SMILES notation for (2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine?
The canonical SMILES for (2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine is C/C(=C\C(N)=C(\C)CN)C(C)(C)C.
What is the InChIKey of (2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine?
The InChIKey is PUOCXTCTGBMQGK-OAMUUVBCSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(7-12)10(13)6-9(2)11(3,4)5/h6H,7,12-13H2,1-5H3/b9-6+,10-8+.
What are the key properties of (2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine?
(2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine is sourced from PubChem (CID 142179621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).