(2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine

C10H16FN — CID 164587800

IUPAC(2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine
SMILESC/C=C\C(F)C=C/C=C/CNC
InChIInChI=1S/C10H16FN/c1-3-7-10(11)8-5-4-6-9-12-2/h3-8,10,12H,9H2,1-2H3/b6-4+,7-3-,8-5?
InChIKeyVFLJDGNKGDRIHW-INRCQJGUSA-N
MW169.24 g/mol
LogP2.23
Rot. Bonds5

About (2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine

(2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine (PubChem CID 164587800) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine.

Molecular Properties

Compound Name(2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine
PubChem CID164587800
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine
SMILESC/C=C\C(F)C=C/C=C/CNC
InChIInChI=1S/C10H16FN/c1-3-7-10(11)8-5-4-6-9-12-2/h3-8,10,12H,9H2,1-2H3/b6-4+,7-3-,8-5?
InChIKeyVFLJDGNKGDRIHW-INRCQJGUSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methylhepta-2,4-dien-1-amine
CID 54531369
(1E,6Z)-1,3-difluoroocta-1,4,6-triene
CID 142242814
ethane;(E)-N-methylbut-2-en-1-amine
CID 157191790
(E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine
CID 129210091
(2Z,4E)-N-methyl-5-(methyldisulfanyl)penta-2,4-dien-1-amine
CID 167106616
(Z)-N-methyl-4-methyliminobut-2-en-1-amine
CID 147531560
(E)-N,4-dimethylhept-2-en-1-amine
CID 131243211
N-[(2E)-6-fluoroundeca-2,4,7-trienyl]iminonitrous amide
CID 123328714
(Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine
CID 171552385
(2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene
CID 88997135
1,1,6-trifluorohexa-2,4-diene
CID 173439953
(Z)-N-methylhex-4-en-3-amine
CID 143219516

Frequently Asked Questions

What is the IUPAC name of (2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine?
The IUPAC name of (2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine (CID 164587800) is (2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine.
What is the SMILES notation for (2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine?
The canonical SMILES for (2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine is C/C=C\C(F)C=C/C=C/CNC.
What is the InChIKey of (2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine?
The InChIKey is VFLJDGNKGDRIHW-INRCQJGUSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-7-10(11)8-5-4-6-9-12-2/h3-8,10,12H,9H2,1-2H3/b6-4+,7-3-,8-5?.
What are the key properties of (2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine?
(2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z)-6-fluoro-N-methylnona-2,4,7-trien-1-amine is sourced from PubChem (CID 164587800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).