N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine

C10H18FN — CID 167170105

IUPACN-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine
SMILESC/C(CF)=N\C=C/C(C)C(C)C
InChIInChI=1S/C10H18FN/c1-8(2)9(3)5-6-12-10(4)7-11/h5-6,8-9H,7H2,1-4H3/b6-5-,12-10+
InChIKeyUNPUGAMKPPINSE-UDMPHVCXSA-N
MW171.26 g/mol
LogP3.22
Rot. Bonds4

About N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine

N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine (PubChem CID 167170105) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine.

Molecular Properties

Compound NameN-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine
PubChem CID167170105
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC NameN-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine
SMILESC/C(CF)=N\C=C/C(C)C(C)C
InChIInChI=1S/C10H18FN/c1-8(2)9(3)5-6-12-10(4)7-11/h5-6,8-9H,7H2,1-4H3/b6-5-,12-10+
InChIKeyUNPUGAMKPPINSE-UDMPHVCXSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine?
The IUPAC name of N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine (CID 167170105) is N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine.
What is the SMILES notation for N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine?
The canonical SMILES for N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine is C/C(CF)=N\C=C/C(C)C(C)C.
What is the InChIKey of N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine?
The InChIKey is UNPUGAMKPPINSE-UDMPHVCXSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)9(3)5-6-12-10(4)7-11/h5-6,8-9H,7H2,1-4H3/b6-5-,12-10+.
What are the key properties of N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine?
N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine has a molecular weight of 171.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine is sourced from PubChem (CID 167170105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).