(Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine

C9H18FN — CID 146586946

IUPAC(Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine
SMILESCC(C)/C=C\C(CF)N(C)C
InChIInChI=1S/C9H18FN/c1-8(2)5-6-9(7-10)11(3)4/h5-6,8-9H,7H2,1-4H3/b6-5-
InChIKeyBXEOPKQRUJAURP-WAYWQWQTSA-N
MW159.25 g/mol
LogP2.10
Rot. Bonds4

About (Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine

(Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine (PubChem CID 146586946) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine.

Molecular Properties

Compound Name(Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine
PubChem CID146586946
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine
SMILESCC(C)/C=C\C(CF)N(C)C
InChIInChI=1S/C9H18FN/c1-8(2)5-6-9(7-10)11(3)4/h5-6,8-9H,7H2,1-4H3/b6-5-
InChIKeyBXEOPKQRUJAURP-WAYWQWQTSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,6-trimethyl-3,6-dihydro-2H-pyridine
CID 57699449
(E)-N,N-diethyl-3-fluoropent-3-en-2-amine
CID 89168015
(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine
CID 146200231
(3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine
CID 146586092
(Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine
CID 153329757
(5Z)-9-fluoro-N,N-dimethylcyclotrideca-2,5,11-trien-1-amine
CID 156184962
1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine
CID 162613809
(4Z)-7,7,7-trifluoro-N,N,2,6-tetramethylhepta-1,4-dien-3-amine
CID 163696649
1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole
CID 164922123
3-Fluoro-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 166157450
6-fluoro-6-methyl-1-propan-2-yl-3,7-dihydro-2H-azepine
CID 169145427
1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine
CID 177033440

Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine?
The IUPAC name of (Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine (CID 146586946) is (Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine.
What is the SMILES notation for (Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine?
The canonical SMILES for (Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine is CC(C)/C=C\C(CF)N(C)C.
What is the InChIKey of (Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine?
The InChIKey is BXEOPKQRUJAURP-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)5-6-9(7-10)11(3)4/h5-6,8-9H,7H2,1-4H3/b6-5-.
What are the key properties of (Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine?
(Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine is sourced from PubChem (CID 146586946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).