(Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine

C13H24FN — CID 146226342

IUPAC(Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine
SMILESC=C(/C(C)=C\N(C)CC(C)(C)C)C(C)F
InChIInChI=1S/C13H24FN/c1-10(11(2)12(3)14)8-15(7)9-13(4,5)6/h8,12H,2,9H2,1,3-7H3/b10-8-
InChIKeyFJHSJMYFSYEOCC-NTMALXAHSA-N
MW213.34 g/mol
LogP3.78
Rot. Bonds4

About (Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine

(Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine (PubChem CID 146226342) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is (Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine
PubChem CID146226342
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name(Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine
SMILESC=C(/C(C)=C\N(C)CC(C)(C)C)C(C)F
InChIInChI=1S/C13H24FN/c1-10(11(2)12(3)14)8-15(7)9-13(4,5)6/h8,12H,2,9H2,1,3-7H3/b10-8-
InChIKeyFJHSJMYFSYEOCC-NTMALXAHSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 88543641
CID 88543641
CID 126549239
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CID 143551208
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CID 144510947
CID 144510947
CID 154937376
CID 154937376
CID 155274989
CID 155274989
CID 156230267
CID 156230267
CID 144510948
CID 144510948
CID 144510995
CID 144510995
CID 158463657
CID 158463657
CID 160208124
CID 160208124
CID 91447037
CID 91447037

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine?
The IUPAC name of (Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine (CID 146226342) is (Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine.
What is the SMILES notation for (Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine?
The canonical SMILES for (Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine is C=C(/C(C)=C\N(C)CC(C)(C)C)C(C)F.
What is the InChIKey of (Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine?
The InChIKey is FJHSJMYFSYEOCC-NTMALXAHSA-N. The full InChI is InChI=1S/C13H24FN/c1-10(11(2)12(3)14)8-15(7)9-13(4,5)6/h8,12H,2,9H2,1,3-7H3/b10-8-.
What are the key properties of (Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine?
(Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine has a molecular weight of 213.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine is sourced from PubChem (CID 146226342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).