(3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine

C18H36FN — CID 174293075

IUPAC(3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine
SMILESC=C(C)C(F)(CC(C)C(C)C(C)C)[C@H](CCC)C(C)N
InChIInChI=1S/C18H36FN/c1-9-10-17(16(8)20)18(19,13(4)5)11-14(6)15(7)12(2)3/h12,14-17H,4,9-11,20H2,1-3,5-8H3/t14?,15?,16?,17-,18?/m1/s1
InChIKeyMIWJTBZBCMCWPZ-AWDGRILASA-N
MW285.49 g/mol
LogP5.35
Rot. Bonds9

About (3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine

(3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine (PubChem CID 174293075) has the molecular formula C18H36FN and a molecular weight of 285.49 g/mol. Its IUPAC name is (3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine.

Molecular Properties

Compound Name(3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine
PubChem CID174293075
Molecular FormulaC18H36FN
Molecular Weight285.49 g/mol
Exact Mass285.28
IUPAC Name(3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine
SMILESC=C(C)C(F)(CC(C)C(C)C(C)C)[C@H](CCC)C(C)N
InChIInChI=1S/C18H36FN/c1-9-10-17(16(8)20)18(19,13(4)5)11-14(6)15(7)12(2)3/h12,14-17H,4,9-11,20H2,1-3,5-8H3/t14?,15?,16?,17-,18?/m1/s1
InChIKeyMIWJTBZBCMCWPZ-AWDGRILASA-N
XLogP5.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine?
The IUPAC name of (3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine (CID 174293075) is (3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine.
What is the SMILES notation for (3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine?
The canonical SMILES for (3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine is C=C(C)C(F)(CC(C)C(C)C(C)C)[C@H](CCC)C(C)N.
What is the InChIKey of (3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine?
The InChIKey is MIWJTBZBCMCWPZ-AWDGRILASA-N. The full InChI is InChI=1S/C18H36FN/c1-9-10-17(16(8)20)18(19,13(4)5)11-14(6)15(7)12(2)3/h12,14-17H,4,9-11,20H2,1-3,5-8H3/t14?,15?,16?,17-,18?/m1/s1.
What are the key properties of (3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine?
(3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine has a molecular weight of 285.49 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine is sourced from PubChem (CID 174293075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).