(4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine

C13H21N — CID 130392632

IUPAC(4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine
SMILESC=C(/C=C\C(C)=C(C)C)C(=C)N(C)C
InChIInChI=1S/C13H21N/c1-10(2)11(3)8-9-12(4)13(5)14(6)7/h8-9H,4-5H2,1-3,6-7H3/b9-8-
InChIKeyLCOQLBOZTNJPKX-HJWRWDBZSA-N
MW191.32 g/mol
LogP3.53
Rot. Bonds4

About (4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine

(4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine (PubChem CID 130392632) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine
PubChem CID130392632
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine
SMILESC=C(/C=C\C(C)=C(C)C)C(=C)N(C)C
InChIInChI=1S/C13H21N/c1-10(2)11(3)8-9-12(4)13(5)14(6)7/h8-9H,4-5H2,1-3,6-7H3/b9-8-
InChIKeyLCOQLBOZTNJPKX-HJWRWDBZSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.53
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,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine?
The IUPAC name of (4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine (CID 130392632) is (4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine.
What is the SMILES notation for (4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine?
The canonical SMILES for (4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine is C=C(/C=C\C(C)=C(C)C)C(=C)N(C)C.
What is the InChIKey of (4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine?
The InChIKey is LCOQLBOZTNJPKX-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)11(3)8-9-12(4)13(5)14(6)7/h8-9H,4-5H2,1-3,6-7H3/b9-8-.
What are the key properties of (4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine?
(4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine is sourced from PubChem (CID 130392632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).