(2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane

C15H29F2N — CID 145011954

IUPAC(2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane
SMILESC/C(=C\C=C(/C)C(C)(F)F)CN(C)C(C)C.CC
InChIInChI=1S/C13H23F2N.C2H6/c1-10(2)16(6)9-11(3)7-8-12(4)13(5,14)15;1-2/h7-8,10H,9H2,1-6H3;1-2H3/b11-7+,12-8+;
InChIKeyUTOZTDMKXORGSV-GCHDFIKQSA-N
MW261.40 g/mol
LogP4.90
Rot. Bonds5

About (2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane

(2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane (PubChem CID 145011954) has the molecular formula C15H29F2N and a molecular weight of 261.40 g/mol. Its IUPAC name is (2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane.

Molecular Properties

Compound Name(2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane
PubChem CID145011954
Molecular FormulaC15H29F2N
Molecular Weight261.40 g/mol
Exact Mass261.23
IUPAC Name(2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane
SMILESC/C(=C\C=C(/C)C(C)(F)F)CN(C)C(C)C.CC
InChIInChI=1S/C13H23F2N.C2H6/c1-10(2)16(6)9-11(3)7-8-12(4)13(5,14)15;1-2/h7-8,10H,9H2,1-6H3;1-2H3/b11-7+,12-8+;
InChIKeyUTOZTDMKXORGSV-GCHDFIKQSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.40
LogP ≤ 54.90
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,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane?
The IUPAC name of (2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane (CID 145011954) is (2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane.
What is the SMILES notation for (2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane?
The canonical SMILES for (2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane is C/C(=C\C=C(/C)C(C)(F)F)CN(C)C(C)C.CC.
What is the InChIKey of (2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane?
The InChIKey is UTOZTDMKXORGSV-GCHDFIKQSA-N. The full InChI is InChI=1S/C13H23F2N.C2H6/c1-10(2)16(6)9-11(3)7-8-12(4)13(5,14)15;1-2/h7-8,10H,9H2,1-6H3;1-2H3/b11-7+,12-8+;.
What are the key properties of (2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane?
(2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane has a molecular weight of 261.40 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane is sourced from PubChem (CID 145011954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).