(2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine

C12H22FN — CID 174195010

IUPAC(2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine
SMILESC/C=C(F)\C(=C/C)N(CCC)CCC
InChIInChI=1S/C12H22FN/c1-5-9-14(10-6-2)12(8-4)11(13)7-3/h7-8H,5-6,9-10H2,1-4H3/b11-7+,12-8+
InChIKeyZQSMFWNCMGXBBV-MKICQXMISA-N
MW199.31 g/mol
LogP3.89
Rot. Bonds6

About (2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine

(2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine (PubChem CID 174195010) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine
PubChem CID174195010
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine
SMILESC/C=C(F)\C(=C/C)N(CCC)CCC
InChIInChI=1S/C12H22FN/c1-5-9-14(10-6-2)12(8-4)11(13)7-3/h7-8H,5-6,9-10H2,1-4H3/b11-7+,12-8+
InChIKeyZQSMFWNCMGXBBV-MKICQXMISA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.89
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)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine (CID 174195010) is (2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine is C/C=C(F)\C(=C/C)N(CCC)CCC.
What is the InChIKey of (2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine?
The InChIKey is ZQSMFWNCMGXBBV-MKICQXMISA-N. The full InChI is InChI=1S/C12H22FN/c1-5-9-14(10-6-2)12(8-4)11(13)7-3/h7-8H,5-6,9-10H2,1-4H3/b11-7+,12-8+.
What are the key properties of (2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine?
(2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine has a molecular weight of 199.31 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine is sourced from PubChem (CID 174195010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).