N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine

C13H22FN — CID 89341029

IUPACN-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine
SMILESC=CC[C@H](F)/C=C\CC(CC)N=C(C)C
InChIInChI=1S/C13H22FN/c1-5-8-12(14)9-7-10-13(6-2)15-11(3)4/h5,7,9,12-13H,1,6,8,10H2,2-4H3/b9-7-/t12-,13?/m0/s1
InChIKeyDPOYXOYEOHMWBH-LYXCLADJSA-N
MW211.32 g/mol
LogP4.11
Rot. Bonds7

About N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine

N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine (PubChem CID 89341029) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine
PubChem CID89341029
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC NameN-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine
SMILESC=CC[C@H](F)/C=C\CC(CC)N=C(C)C
InChIInChI=1S/C13H22FN/c1-5-8-12(14)9-7-10-13(6-2)15-11(3)4/h5,7,9,12-13H,1,6,8,10H2,2-4H3/b9-7-/t12-,13?/m0/s1
InChIKeyDPOYXOYEOHMWBH-LYXCLADJSA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 91613012
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CID 123917895
CID 123917895
CID 126639699
CID 126639699
CID 145612639
CID 145612639
CID 145612640
CID 145612640
CID 166974523
CID 166974523
CID 142913317
CID 142913317
CID 154499101
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CID 91309689
CID 91309689

Frequently Asked Questions

What is the IUPAC name of N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine?
The IUPAC name of N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine (CID 89341029) is N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine.
What is the SMILES notation for N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine?
The canonical SMILES for N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine is C=CC[C@H](F)/C=C\CC(CC)N=C(C)C.
What is the InChIKey of N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine?
The InChIKey is DPOYXOYEOHMWBH-LYXCLADJSA-N. The full InChI is InChI=1S/C13H22FN/c1-5-8-12(14)9-7-10-13(6-2)15-11(3)4/h5,7,9,12-13H,1,6,8,10H2,2-4H3/b9-7-/t12-,13?/m0/s1.
What are the key properties of N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine?
N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine has a molecular weight of 211.32 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine is sourced from PubChem (CID 89341029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).