(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine

C10H20FN — CID 146200231

IUPAC(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine
SMILESC/C=C\C(C(C)C)N(C)C(C)F
InChIInChI=1S/C10H20FN/c1-6-7-10(8(2)3)12(5)9(4)11/h6-10H,1-5H3/b7-6-
InChIKeyMDSSOPOMPGIKJH-SREVYHEPSA-N
MW173.27 g/mol
LogP2.83
Rot. Bonds4

About (Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine

(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine (PubChem CID 146200231) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine.

Molecular Properties

Compound Name(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine
PubChem CID146200231
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine
SMILESC/C=C\C(C(C)C)N(C)C(C)F
InChIInChI=1S/C10H20FN/c1-6-7-10(8(2)3)12(5)9(4)11/h6-10H,1-5H3/b7-6-
InChIKeyMDSSOPOMPGIKJH-SREVYHEPSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine?
The IUPAC name of (Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine (CID 146200231) is (Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine.
What is the SMILES notation for (Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine?
The canonical SMILES for (Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine is C/C=C\C(C(C)C)N(C)C(C)F.
What is the InChIKey of (Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine?
The InChIKey is MDSSOPOMPGIKJH-SREVYHEPSA-N. The full InChI is InChI=1S/C10H20FN/c1-6-7-10(8(2)3)12(5)9(4)11/h6-10H,1-5H3/b7-6-.
What are the key properties of (Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine?
(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine has a molecular weight of 173.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine is sourced from PubChem (CID 146200231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).