(4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine

C12H21N — CID 88885337

IUPAC(4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C(/C)C(=C(C)C)N(C)C
InChIInChI=1S/C12H21N/c1-9(2)8-11(5)12(10(3)4)13(6)7/h8H,1H2,2-7H3/b11-8-
InChIKeyVMEOTAUSXOOZNJ-FLIBITNWSA-N
MW179.31 g/mol
LogP3.36
Rot. Bonds3

About (4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine

(4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine (PubChem CID 88885337) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine
PubChem CID88885337
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C(/C)C(=C(C)C)N(C)C
InChIInChI=1S/C12H21N/c1-9(2)8-11(5)12(10(3)4)13(6)7/h8H,1H2,2-7H3/b11-8-
InChIKeyVMEOTAUSXOOZNJ-FLIBITNWSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine?
The IUPAC name of (4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine (CID 88885337) is (4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine is C=C(C)/C=C(/C)C(=C(C)C)N(C)C.
What is the InChIKey of (4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine?
The InChIKey is VMEOTAUSXOOZNJ-FLIBITNWSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)8-11(5)12(10(3)4)13(6)7/h8H,1H2,2-7H3/b11-8-.
What are the key properties of (4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine?
(4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine has a molecular weight of 179.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,N,2,4,6-pentamethylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 88885337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).