(6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine

C17H30FN — CID 155197707

IUPAC(6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine
SMILESC=C(CC=C/C(=C\C)C(C)C)N(C)CC(C)(C)CF
InChIInChI=1S/C17H30FN/c1-8-16(14(2)3)11-9-10-15(4)19(7)13-17(5,6)12-18/h8-9,11,14H,4,10,12-13H2,1-3,5-7H3/b11-9?,16-8+
InChIKeyYQVDKZDBUWCFAI-QYXFTNQQSA-N
MW267.43 g/mol
LogP4.98
Rot. Bonds8

About (6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine

(6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine (PubChem CID 155197707) has the molecular formula C17H30FN and a molecular weight of 267.43 g/mol. Its IUPAC name is (6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine
PubChem CID155197707
Molecular FormulaC17H30FN
Molecular Weight267.43 g/mol
Exact Mass267.24
IUPAC Name(6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine
SMILESC=C(CC=C/C(=C\C)C(C)C)N(C)CC(C)(C)CF
InChIInChI=1S/C17H30FN/c1-8-16(14(2)3)11-9-10-15(4)19(7)13-17(5,6)12-18/h8-9,11,14H,4,10,12-13H2,1-3,5-7H3/b11-9?,16-8+
InChIKeyYQVDKZDBUWCFAI-QYXFTNQQSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.43
LogP ≤ 54.98
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 (6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine?
The IUPAC name of (6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine (CID 155197707) is (6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine.
What is the SMILES notation for (6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine?
The canonical SMILES for (6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine is C=C(CC=C/C(=C\C)C(C)C)N(C)CC(C)(C)CF.
What is the InChIKey of (6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine?
The InChIKey is YQVDKZDBUWCFAI-QYXFTNQQSA-N. The full InChI is InChI=1S/C17H30FN/c1-8-16(14(2)3)11-9-10-15(4)19(7)13-17(5,6)12-18/h8-9,11,14H,4,10,12-13H2,1-3,5-7H3/b11-9?,16-8+.
What are the key properties of (6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine?
(6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine has a molecular weight of 267.43 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine is sourced from PubChem (CID 155197707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).