(Z)-4-chloro-2-methylhept-2-en-1-imine

C8H14ClN — CID 171811190

IUPAC(Z)-4-chloro-2-methylhept-2-en-1-imine
SMILES[H]/N=C/C(C)=C\C(Cl)CCC
InChIInChI=1S/C8H14ClN/c1-3-4-8(9)5-7(2)6-10/h5-6,8,10H,3-4H2,1-2H3/b7-5-,10-6+
InChIKeyIEUSZOYGUBEXGX-ZPRNNRRZSA-N
MW159.66 g/mol
LogP2.99
Rot. Bonds4

About (Z)-4-chloro-2-methylhept-2-en-1-imine

(Z)-4-chloro-2-methylhept-2-en-1-imine (PubChem CID 171811190) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (Z)-4-chloro-2-methylhept-2-en-1-imine.

Molecular Properties

Compound Name(Z)-4-chloro-2-methylhept-2-en-1-imine
PubChem CID171811190
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(Z)-4-chloro-2-methylhept-2-en-1-imine
SMILES[H]/N=C/C(C)=C\C(Cl)CCC
InChIInChI=1S/C8H14ClN/c1-3-4-8(9)5-7(2)6-10/h5-6,8,10H,3-4H2,1-2H3/b7-5-,10-6+
InChIKeyIEUSZOYGUBEXGX-ZPRNNRRZSA-N
XLogP2.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.99
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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Related Compounds

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CID 89085027
(Z)-5-chloro-2-ethylhept-2-en-1-imine
CID 90764978
(Z)-2-(2-chloropropan-2-yl)pent-2-en-1-imine
CID 126628851
(2E)-5-chloro-N,2-dimethylhepta-2,6-dien-1-imine
CID 139435606
(4-Chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 163518027
2-[(1Z,4Z,6Z)-2-(2-chloroethyl)-8-methylidenecyclonona-1,4,6-trien-1-yl]prop-2-en-1-imine
CID 169594474
(Z)-2-(chloromethyl)-N-methyloct-2-en-1-imine
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CID 178047791

Frequently Asked Questions

What is the IUPAC name of (Z)-4-chloro-2-methylhept-2-en-1-imine?
The IUPAC name of (Z)-4-chloro-2-methylhept-2-en-1-imine (CID 171811190) is (Z)-4-chloro-2-methylhept-2-en-1-imine.
What is the SMILES notation for (Z)-4-chloro-2-methylhept-2-en-1-imine?
The canonical SMILES for (Z)-4-chloro-2-methylhept-2-en-1-imine is [H]/N=C/C(C)=C\C(Cl)CCC.
What is the InChIKey of (Z)-4-chloro-2-methylhept-2-en-1-imine?
The InChIKey is IEUSZOYGUBEXGX-ZPRNNRRZSA-N. The full InChI is InChI=1S/C8H14ClN/c1-3-4-8(9)5-7(2)6-10/h5-6,8,10H,3-4H2,1-2H3/b7-5-,10-6+.
What are the key properties of (Z)-4-chloro-2-methylhept-2-en-1-imine?
(Z)-4-chloro-2-methylhept-2-en-1-imine has a molecular weight of 159.66 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-2-methylhept-2-en-1-imine is sourced from PubChem (CID 171811190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).