(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine

C12H24FN — CID 90261572

IUPAC(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
SMILESC/C=C\C(CNCC)C(CC)[C@H](C)F
InChIInChI=1S/C12H24FN/c1-5-8-11(9-14-7-3)12(6-2)10(4)13/h5,8,10-12,14H,6-7,9H2,1-4H3/b8-5-/t10-,11?,12?/m0/s1
InChIKeyHKDGTCVBUQDWQQ-UIZAQPMJSA-N
MW201.33 g/mol
LogP3.17
Rot. Bonds7

About (Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine

(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine (PubChem CID 90261572) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is (Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
PubChem CID90261572
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
SMILESC/C=C\C(CNCC)C(CC)[C@H](C)F
InChIInChI=1S/C12H24FN/c1-5-8-11(9-14-7-3)12(6-2)10(4)13/h5,8,10-12,14H,6-7,9H2,1-4H3/b8-5-/t10-,11?,12?/m0/s1
InChIKeyHKDGTCVBUQDWQQ-UIZAQPMJSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine?
The IUPAC name of (Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine (CID 90261572) is (Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine is C/C=C\C(CNCC)C(CC)[C@H](C)F.
What is the InChIKey of (Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine?
The InChIKey is HKDGTCVBUQDWQQ-UIZAQPMJSA-N. The full InChI is InChI=1S/C12H24FN/c1-5-8-11(9-14-7-3)12(6-2)10(4)13/h5,8,10-12,14H,6-7,9H2,1-4H3/b8-5-/t10-,11?,12?/m0/s1.
What are the key properties of (Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine?
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine has a molecular weight of 201.33 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine is sourced from PubChem (CID 90261572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).