(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine

C10H17N — CID 126639396

IUPAC(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine
SMILESC=C(C)/C=C(C)\C(C)=C(\C)N
InChIInChI=1S/C10H17N/c1-7(2)6-8(3)9(4)10(5)11/h6H,1,11H2,2-5H3/b8-6-,10-9-
InChIKeyCPHWGTQKQPKREU-VAOAJWRNSA-N
MW151.25 g/mol
LogP2.76
Rot. Bonds2

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

(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine (PubChem CID 126639396) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine
PubChem CID126639396
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine
SMILESC=C(C)/C=C(C)\C(C)=C(\C)N
InChIInChI=1S/C10H17N/c1-7(2)6-8(3)9(4)10(5)11/h6H,1,11H2,2-5H3/b8-6-,10-9-
InChIKeyCPHWGTQKQPKREU-VAOAJWRNSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
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 (2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine (CID 126639396) is (2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine is C=C(C)/C=C(C)\C(C)=C(\C)N.
What is the InChIKey of (2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine?
The InChIKey is CPHWGTQKQPKREU-VAOAJWRNSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)6-8(3)9(4)10(5)11/h6H,1,11H2,2-5H3/b8-6-,10-9-.
What are the key properties of (2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine?
(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 126639396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).