(Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine

C10H18ClN — CID 155129256

IUPAC(Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine
SMILES[H]/N=C(\C=C/C)[C@](C)(CC)[C@@H](C)Cl
InChIInChI=1S/C10H18ClN/c1-5-7-9(12)10(4,6-2)8(3)11/h5,7-8,12H,6H2,1-4H3/b7-5-,12-9+/t8-,10-/m1/s1
InChIKeyMVFIHYWTANJQPQ-PIVOXVLZSA-N
MW187.71 g/mol
LogP3.63
Rot. Bonds4

About (Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine

(Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine (PubChem CID 155129256) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is (Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine.

Molecular Properties

Compound Name(Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine
PubChem CID155129256
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name(Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine
SMILES[H]/N=C(\C=C/C)[C@](C)(CC)[C@@H](C)Cl
InChIInChI=1S/C10H18ClN/c1-5-7-9(12)10(4,6-2)8(3)11/h5,7-8,12H,6H2,1-4H3/b7-5-,12-9+/t8-,10-/m1/s1
InChIKeyMVFIHYWTANJQPQ-PIVOXVLZSA-N
XLogP3.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine?
The IUPAC name of (Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine (CID 155129256) is (Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine.
What is the SMILES notation for (Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine?
The canonical SMILES for (Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine is [H]/N=C(\C=C/C)[C@](C)(CC)[C@@H](C)Cl.
What is the InChIKey of (Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine?
The InChIKey is MVFIHYWTANJQPQ-PIVOXVLZSA-N. The full InChI is InChI=1S/C10H18ClN/c1-5-7-9(12)10(4,6-2)8(3)11/h5,7-8,12H,6H2,1-4H3/b7-5-,12-9+/t8-,10-/m1/s1.
What are the key properties of (Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine?
(Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine has a molecular weight of 187.71 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine is sourced from PubChem (CID 155129256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).