(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine

C15H26N2 — CID 58634016

IUPAC(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine
SMILESC/C=C1/CC2[C@H](CCCN2CCC)C/C1=N\C
InChIInChI=1S/C15H26N2/c1-4-8-17-9-6-7-13-10-14(16-3)12(5-2)11-15(13)17/h5,13,15H,4,6-11H2,1-3H3/b12-5-,16-14+/t13-,15?/m1/s1
InChIKeyGFBJKROLCNGHKI-VPKQOCDESA-N
MW234.39 g/mol
LogP3.29
Rot. Bonds2

About (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine

(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine (PubChem CID 58634016) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine.

Molecular Properties

Compound Name(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine
PubChem CID58634016
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine
SMILESC/C=C1/CC2[C@H](CCCN2CCC)C/C1=N\C
InChIInChI=1S/C15H26N2/c1-4-8-17-9-6-7-13-10-14(16-3)12(5-2)11-15(13)17/h5,13,15H,4,6-11H2,1-3H3/b12-5-,16-14+/t13-,15?/m1/s1
InChIKeyGFBJKROLCNGHKI-VPKQOCDESA-N
XLogP3.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine with MolForge

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Related Compounds

N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine
CID 123984515
(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane
CID 158236843
N,2-dimethyl-10-(4-propylpiperidin-1-yl)dec-2-en-4-imine
CID 168196730
2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline
CID 24869203
N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
CID 142417058
3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene
CID 163106953
(1S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,7-diene
CID 163106954

Frequently Asked Questions

What is the IUPAC name of (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine?
The IUPAC name of (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine (CID 58634016) is (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine.
What is the SMILES notation for (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine?
The canonical SMILES for (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine is C/C=C1/CC2[C@H](CCCN2CCC)C/C1=N\C.
What is the InChIKey of (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine?
The InChIKey is GFBJKROLCNGHKI-VPKQOCDESA-N. The full InChI is InChI=1S/C15H26N2/c1-4-8-17-9-6-7-13-10-14(16-3)12(5-2)11-15(13)17/h5,13,15H,4,6-11H2,1-3H3/b12-5-,16-14+/t13-,15?/m1/s1.
What are the key properties of (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine?
(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine has a molecular weight of 234.39 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine is sourced from PubChem (CID 58634016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).