N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine

C16H27F3N- — CID 91177310

IUPACN-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine
SMILES[H]/[C-]=C(\CCCCC)C(=C)CCCN(CC)CC(F)(F)F
InChIInChI=1S/C16H27F3N/c1-5-7-8-10-14(3)15(4)11-9-12-20(6-2)13-16(17,18)19/h3H,4-13H2,1-2H3/q-1
InChIKeyVHDYDXOZIKIFII-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.15
Rot. Bonds11

About N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine

N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine (PubChem CID 91177310) has the molecular formula C16H27F3N- and a molecular weight of 290.39 g/mol. Its IUPAC name is N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine
PubChem CID91177310
Molecular FormulaC16H27F3N-
Molecular Weight290.39 g/mol
Exact Mass290.21
IUPAC NameN-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine
SMILES[H]/[C-]=C(\CCCCC)C(=C)CCCN(CC)CC(F)(F)F
InChIInChI=1S/C16H27F3N/c1-5-7-8-10-14(3)15(4)11-9-12-20(6-2)13-16(17,18)19/h3H,4-13H2,1-2H3/q-1
InChIKeyVHDYDXOZIKIFII-UHFFFAOYSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine?
The IUPAC name of N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine (CID 91177310) is N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine.
What is the SMILES notation for N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine?
The canonical SMILES for N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine is [H]/[C-]=C(\CCCCC)C(=C)CCCN(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine?
The InChIKey is VHDYDXOZIKIFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N/c1-5-7-8-10-14(3)15(4)11-9-12-20(6-2)13-16(17,18)19/h3H,4-13H2,1-2H3/q-1.
What are the key properties of N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine?
N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine has a molecular weight of 290.39 g/mol, XLogP of 5.15, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine is sourced from PubChem (CID 91177310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).