(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine

C10H19N — CID 134214023

IUPAC(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine
SMILESC/C=C(N)\C=C(/C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-6-9(11)7-8(2)10(3,4)5/h6-7H,11H2,1-5H3/b8-7+,9-6+
InChIKeyIURBHCNCNPWSDW-KHHFIZIMSA-N
MW153.27 g/mol
LogP2.84
Rot. Bonds1

About (2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine

(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine (PubChem CID 134214023) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine
PubChem CID134214023
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine
SMILESC/C=C(N)\C=C(/C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-6-9(11)7-8(2)10(3,4)5/h6-7H,11H2,1-5H3/b8-7+,9-6+
InChIKeyIURBHCNCNPWSDW-KHHFIZIMSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.84
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 (2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine (CID 134214023) is (2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine is C/C=C(N)\C=C(/C)C(C)(C)C.
What is the InChIKey of (2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine?
The InChIKey is IURBHCNCNPWSDW-KHHFIZIMSA-N. The full InChI is InChI=1S/C10H19N/c1-6-9(11)7-8(2)10(3,4)5/h6-7H,11H2,1-5H3/b8-7+,9-6+.
What are the key properties of (2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine?
(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine is sourced from PubChem (CID 134214023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).