(Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine

C14H25N — CID 167080856

IUPAC(Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine
SMILESC/C=C\C(C)C(C)/C=N/C1C[C@]1(C)CC
InChIInChI=1S/C14H25N/c1-6-8-11(3)12(4)10-15-13-9-14(13,5)7-2/h6,8,10-13H,7,9H2,1-5H3/b8-6-,15-10+/t11?,12?,13?,14-/m0/s1
InChIKeyGWNPSDGPISXTNS-TZIMZAOZSA-N
MW207.36 g/mol
LogP4.09
Rot. Bonds5

About (Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine

(Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine (PubChem CID 167080856) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine
PubChem CID167080856
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine
SMILESC/C=C\C(C)C(C)/C=N/C1C[C@]1(C)CC
InChIInChI=1S/C14H25N/c1-6-8-11(3)12(4)10-15-13-9-14(13,5)7-2/h6,8,10-13H,7,9H2,1-5H3/b8-6-,15-10+/t11?,12?,13?,14-/m0/s1
InChIKeyGWNPSDGPISXTNS-TZIMZAOZSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine?
The IUPAC name of (Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine (CID 167080856) is (Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine.
What is the SMILES notation for (Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine?
The canonical SMILES for (Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine is C/C=C\C(C)C(C)/C=N/C1C[C@]1(C)CC.
What is the InChIKey of (Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine?
The InChIKey is GWNPSDGPISXTNS-TZIMZAOZSA-N. The full InChI is InChI=1S/C14H25N/c1-6-8-11(3)12(4)10-15-13-9-14(13,5)7-2/h6,8,10-13H,7,9H2,1-5H3/b8-6-,15-10+/t11?,12?,13?,14-/m0/s1.
What are the key properties of (Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine?
(Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine is sourced from PubChem (CID 167080856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).