(2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine

C18H26ClN5 — CID 168912698

IUPAC(2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
SMILESC/N=C/C(=N\N)C1CC2(C[C@H](C)N1)c1ccc(Cl)cc1CCN2C
InChIInChI=1S/C18H26ClN5/c1-12-9-18(10-16(22-12)17(23-20)11-21-2)15-5-4-14(19)8-13(15)6-7-24(18)3/h4-5,8,11-12,16,22H,6-7,9-10,20H2,1-3H3/b21-11+,23-17+/t12-,16?,18?/m0/s1
InChIKeyHBNQZJXPNIARGU-ZYKKTJAFSA-N
MW347.89 g/mol
LogP2.18
Rot. Bonds2

About (2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine

(2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine (PubChem CID 168912698) has the molecular formula C18H26ClN5 and a molecular weight of 347.89 g/mol. Its IUPAC name is (2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine.

Molecular Properties

Compound Name(2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
PubChem CID168912698
Molecular FormulaC18H26ClN5
Molecular Weight347.89 g/mol
Exact Mass347.19
IUPAC Name(2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
SMILESC/N=C/C(=N\N)C1CC2(C[C@H](C)N1)c1ccc(Cl)cc1CCN2C
InChIInChI=1S/C18H26ClN5/c1-12-9-18(10-16(22-12)17(23-20)11-21-2)15-5-4-14(19)8-13(15)6-7-24(18)3/h4-5,8,11-12,16,22H,6-7,9-10,20H2,1-3H3/b21-11+,23-17+/t12-,16?,18?/m0/s1
InChIKeyHBNQZJXPNIARGU-ZYKKTJAFSA-N
XLogP2.18
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
The IUPAC name of (2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine (CID 168912698) is (2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine.
What is the SMILES notation for (2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
The canonical SMILES for (2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine is C/N=C/C(=N\N)C1CC2(C[C@H](C)N1)c1ccc(Cl)cc1CCN2C.
What is the InChIKey of (2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
The InChIKey is HBNQZJXPNIARGU-ZYKKTJAFSA-N. The full InChI is InChI=1S/C18H26ClN5/c1-12-9-18(10-16(22-12)17(23-20)11-21-2)15-5-4-14(19)8-13(15)6-7-24(18)3/h4-5,8,11-12,16,22H,6-7,9-10,20H2,1-3H3/b21-11+,23-17+/t12-,16?,18?/m0/s1.
What are the key properties of (2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
(2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine has a molecular weight of 347.89 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine is sourced from PubChem (CID 168912698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).