3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine

C8H14ClN — CID 15090167

IUPAC3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine
SMILESC=CC/N=C/C(C)(C)CCl
InChIInChI=1S/C8H14ClN/c1-4-5-10-7-8(2,3)6-9/h4,7H,1,5-6H2,2-3H3/b10-7+
InChIKeyZUZZHNWJKLHMGZ-JXMROGBWSA-N
MW159.66 g/mol
LogP2.51
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine

3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine (PubChem CID 15090167) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine
PubChem CID15090167
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine
SMILESC=CC/N=C/C(C)(C)CCl
InChIInChI=1S/C8H14ClN/c1-4-5-10-7-8(2,3)6-9/h4,7H,1,5-6H2,2-3H3/b10-7+
InChIKeyZUZZHNWJKLHMGZ-JXMROGBWSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine?
The IUPAC name of 3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine (CID 15090167) is 3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine is C=CC/N=C/C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine?
The InChIKey is ZUZZHNWJKLHMGZ-JXMROGBWSA-N. The full InChI is InChI=1S/C8H14ClN/c1-4-5-10-7-8(2,3)6-9/h4,7H,1,5-6H2,2-3H3/b10-7+.
What are the key properties of 3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine?
3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine has a molecular weight of 159.66 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine is sourced from PubChem (CID 15090167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).