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

C11H18FN — CID 145335769

IUPAC(5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C(F)/C=C\C(=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/b6-5-
InChIKeyBTXNGYMRTDBMFC-WAYWQWQTSA-N
MW183.27 g/mol
LogP2.83
Rot. Bonds6

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

(5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine (PubChem CID 145335769) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
PubChem CID145335769
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C(F)/C=C\C(=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/b6-5-
InChIKeyBTXNGYMRTDBMFC-WAYWQWQTSA-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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Related Compounds

(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 15392411
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572

Frequently Asked Questions

What is the IUPAC name of (5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
The IUPAC name of (5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine (CID 145335769) is (5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine.
What is the SMILES notation for (5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
The canonical SMILES for (5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine is C=C(F)/C=C\C(=C)C(C)CCNC.
What is the InChIKey of (5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
The InChIKey is BTXNGYMRTDBMFC-WAYWQWQTSA-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/b6-5-.
What are the key properties of (5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
(5Z)-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 (5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine is sourced from PubChem (CID 145335769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).