fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine

C15H29FN2 — CID 143930911

IUPACfluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine
SMILESC/C=C\C(=C/C(N)CC)CN1CCCCC1.CF
InChIInChI=1S/C14H26N2.CH3F/c1-3-8-13(11-14(15)4-2)12-16-9-6-5-7-10-16;1-2/h3,8,11,14H,4-7,9-10,12,15H2,1-2H3;1H3/b8-3-,13-11+;
InChIKeyQQBSZPIZFHDYQI-VYZXNJSESA-N
MW256.41 g/mol
LogP3.30
Rot. Bonds5

About fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine

fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine (PubChem CID 143930911) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine.

Molecular Properties

Compound Namefluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine
PubChem CID143930911
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Namefluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine
SMILESC/C=C\C(=C/C(N)CC)CN1CCCCC1.CF
InChIInChI=1S/C14H26N2.CH3F/c1-3-8-13(11-14(15)4-2)12-16-9-6-5-7-10-16;1-2/h3,8,11,14H,4-7,9-10,12,15H2,1-2H3;1H3/b8-3-,13-11+;
InChIKeyQQBSZPIZFHDYQI-VYZXNJSESA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine?
The IUPAC name of fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine (CID 143930911) is fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine.
What is the SMILES notation for fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine?
The canonical SMILES for fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine is C/C=C\C(=C/C(N)CC)CN1CCCCC1.CF.
What is the InChIKey of fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine?
The InChIKey is QQBSZPIZFHDYQI-VYZXNJSESA-N. The full InChI is InChI=1S/C14H26N2.CH3F/c1-3-8-13(11-14(15)4-2)12-16-9-6-5-7-10-16;1-2/h3,8,11,14H,4-7,9-10,12,15H2,1-2H3;1H3/b8-3-,13-11+;.
What are the key properties of fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine?
fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine has a molecular weight of 256.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;(4E,6Z)-5-(piperidin-1-ylmethyl)octa-4,6-dien-3-amine is sourced from PubChem (CID 143930911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).