(4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine

C11H21N — CID 139361102

IUPAC(4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine
SMILESC=C/C=C(/C)C(C(C)C)N(C)C
InChIInChI=1S/C11H21N/c1-7-8-10(4)11(9(2)3)12(5)6/h7-9,11H,1H2,2-6H3/b10-8-
InChIKeyASYYGFUFDUPCFY-NTMALXAHSA-N
MW167.30 g/mol
LogP2.70
Rot. Bonds4

About (4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine

(4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine (PubChem CID 139361102) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine
PubChem CID139361102
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine
SMILESC=C/C=C(/C)C(C(C)C)N(C)C
InChIInChI=1S/C11H21N/c1-7-8-10(4)11(9(2)3)12(5)6/h7-9,11H,1H2,2-6H3/b10-8-
InChIKeyASYYGFUFDUPCFY-NTMALXAHSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.70
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-tetramethylhepta-4,6-dien-3-amine?
The IUPAC name of (4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine (CID 139361102) is (4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine.
What is the SMILES notation for (4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine?
The canonical SMILES for (4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine is C=C/C=C(/C)C(C(C)C)N(C)C.
What is the InChIKey of (4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine?
The InChIKey is ASYYGFUFDUPCFY-NTMALXAHSA-N. The full InChI is InChI=1S/C11H21N/c1-7-8-10(4)11(9(2)3)12(5)6/h7-9,11H,1H2,2-6H3/b10-8-.
What are the key properties of (4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine?
(4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine has a molecular weight of 167.30 g/mol, XLogP of 2.70, 4 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-tetramethylhepta-4,6-dien-3-amine is sourced from PubChem (CID 139361102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).