(2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine

C13H23N — CID 134254927

IUPAC(2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/C)CN(C)C(C)C
InChIInChI=1S/C13H23N/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h7-9,11H,1,10H2,2-6H3/b12-8-,13-9+
InChIKeyTZOMEEBJHZXYRH-QRBCZBMESA-N
MW193.33 g/mol
LogP3.41
Rot. Bonds5

About (2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine

(2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine (PubChem CID 134254927) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine
PubChem CID134254927
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/C)CN(C)C(C)C
InChIInChI=1S/C13H23N/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h7-9,11H,1,10H2,2-6H3/b12-8-,13-9+
InChIKeyTZOMEEBJHZXYRH-QRBCZBMESA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.41
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 (2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine (CID 134254927) is (2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine is C=C/C(C)=C\C=C(/C)CN(C)C(C)C.
What is the InChIKey of (2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine?
The InChIKey is TZOMEEBJHZXYRH-QRBCZBMESA-N. The full InChI is InChI=1S/C13H23N/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h7-9,11H,1,10H2,2-6H3/b12-8-,13-9+.
What are the key properties of (2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine?
(2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,2,5-trimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 134254927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).