(1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine

C12H20FN — CID 142309007

IUPAC(1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine
SMILESC/C=C(\C=C/C(=C/F)N(C)C)C(C)C
InChIInChI=1S/C12H20FN/c1-6-11(10(2)3)7-8-12(9-13)14(4)5/h6-10H,1-5H3/b8-7-,11-6+,12-9-
InChIKeyUVGUKTWKWUXZGH-SGAXCNDDSA-N
MW197.30 g/mol
LogP3.52
Rot. Bonds4

About (1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine

(1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine (PubChem CID 142309007) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine
PubChem CID142309007
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine
SMILESC/C=C(\C=C/C(=C/F)N(C)C)C(C)C
InChIInChI=1S/C12H20FN/c1-6-11(10(2)3)7-8-12(9-13)14(4)5/h6-10H,1-5H3/b8-7-,11-6+,12-9-
InChIKeyUVGUKTWKWUXZGH-SGAXCNDDSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.52
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 (1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine?
The IUPAC name of (1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine (CID 142309007) is (1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine is C/C=C(\C=C/C(=C/F)N(C)C)C(C)C.
What is the InChIKey of (1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine?
The InChIKey is UVGUKTWKWUXZGH-SGAXCNDDSA-N. The full InChI is InChI=1S/C12H20FN/c1-6-11(10(2)3)7-8-12(9-13)14(4)5/h6-10H,1-5H3/b8-7-,11-6+,12-9-.
What are the key properties of (1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine?
(1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine has a molecular weight of 197.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 142309007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).