(2S)-N,2-diethyl-3-fluorohex-4-en-1-amine

C10H20FN — CID 134441528

IUPAC(2S)-N,2-diethyl-3-fluorohex-4-en-1-amine
SMILESCC=CC(F)[C@@H](CC)CNCC
InChIInChI=1S/C10H20FN/c1-4-7-10(11)9(5-2)8-12-6-3/h4,7,9-10,12H,5-6,8H2,1-3H3/t9-,10?/m0/s1
InChIKeyRQSQCGMZXZPPCE-RGURZIINSA-N
MW173.27 g/mol
LogP2.54
Rot. Bonds6

About (2S)-N,2-diethyl-3-fluorohex-4-en-1-amine

(2S)-N,2-diethyl-3-fluorohex-4-en-1-amine (PubChem CID 134441528) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (2S)-N,2-diethyl-3-fluorohex-4-en-1-amine.

Molecular Properties

Compound Name(2S)-N,2-diethyl-3-fluorohex-4-en-1-amine
PubChem CID134441528
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(2S)-N,2-diethyl-3-fluorohex-4-en-1-amine
SMILESCC=CC(F)[C@@H](CC)CNCC
InChIInChI=1S/C10H20FN/c1-4-7-10(11)9(5-2)8-12-6-3/h4,7,9-10,12H,5-6,8H2,1-3H3/t9-,10?/m0/s1
InChIKeyRQSQCGMZXZPPCE-RGURZIINSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
N-(cyclopropylmethyl)-2-ethyl-2-fluoropent-4-en-1-amine
CID 91109032
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
CID 123264703
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
5-fluoro-N,8-dimethylnon-5-en-2-amine
CID 123595869
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine
CID 129055443

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-diethyl-3-fluorohex-4-en-1-amine?
The IUPAC name of (2S)-N,2-diethyl-3-fluorohex-4-en-1-amine (CID 134441528) is (2S)-N,2-diethyl-3-fluorohex-4-en-1-amine.
What is the SMILES notation for (2S)-N,2-diethyl-3-fluorohex-4-en-1-amine?
The canonical SMILES for (2S)-N,2-diethyl-3-fluorohex-4-en-1-amine is CC=CC(F)[C@@H](CC)CNCC.
What is the InChIKey of (2S)-N,2-diethyl-3-fluorohex-4-en-1-amine?
The InChIKey is RQSQCGMZXZPPCE-RGURZIINSA-N. The full InChI is InChI=1S/C10H20FN/c1-4-7-10(11)9(5-2)8-12-6-3/h4,7,9-10,12H,5-6,8H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (2S)-N,2-diethyl-3-fluorohex-4-en-1-amine?
(2S)-N,2-diethyl-3-fluorohex-4-en-1-amine has a molecular weight of 173.27 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-diethyl-3-fluorohex-4-en-1-amine is sourced from PubChem (CID 134441528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).