7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine

C11H18FN — CID 123382807

IUPAC7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C(F)C=CC(=C)C(C)CCNC
InChIInChI=1S/C11H18FN/c1-9(5-6-11(3)12)10(2)7-8-13-4/h5-6,10,13H,1,3,7-8H2,2,4H3
InChIKeyBTXNGYMRTDBMFC-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.83
Rot. Bonds6

About 7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine

7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine (PubChem CID 123382807) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
PubChem CID123382807
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C(F)C=CC(=C)C(C)CCNC
InChIInChI=1S/C11H18FN/c1-9(5-6-11(3)12)10(2)7-8-13-4/h5-6,10,13H,1,3,7-8H2,2,4H3
InChIKeyBTXNGYMRTDBMFC-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
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 7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
The IUPAC name of 7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine (CID 123382807) is 7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
The canonical SMILES for 7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine is C=C(F)C=CC(=C)C(C)CCNC.
What is the InChIKey of 7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
The InChIKey is BTXNGYMRTDBMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(5-6-11(3)12)10(2)7-8-13-4/h5-6,10,13H,1,3,7-8H2,2,4H3.
What are the key properties of 7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine is sourced from PubChem (CID 123382807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).