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

C15H29N3 — CID 158236843

IUPAC(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane
SMILESC/C=C1/CC2[C@H](CCCN2CCC)C/C1=N\C.N
InChIInChI=1S/C15H26N2.H3N/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;1H3/b12-5-,16-14+;/t13-,15?;/m1./s1
InChIKeyQGJAPGPQIZNEIZ-NVTHHSBBSA-N
MW251.42 g/mol
LogP3.45
Rot. Bonds2

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

(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane (PubChem CID 158236843) has the molecular formula C15H29N3 and a molecular weight of 251.42 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;azane.

Molecular Properties

Compound Name(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane
PubChem CID158236843
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane
SMILESC/C=C1/CC2[C@H](CCCN2CCC)C/C1=N\C.N
InChIInChI=1S/C15H26N2.H3N/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;1H3/b12-5-,16-14+;/t13-,15?;/m1./s1
InChIKeyQGJAPGPQIZNEIZ-NVTHHSBBSA-N
XLogP3.45
TPSA50.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine
CID 58634016
N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine
CID 123984515
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;azane?
The IUPAC name of (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane (CID 158236843) is (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane.
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;azane?
The canonical SMILES for (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane is C/C=C1/CC2[C@H](CCCN2CCC)C/C1=N\C.N.
What is the InChIKey of (4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane?
The InChIKey is QGJAPGPQIZNEIZ-NVTHHSBBSA-N. The full InChI is InChI=1S/C15H26N2.H3N/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;1H3/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;azane?
(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane has a molecular weight of 251.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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;azane is sourced from PubChem (CID 158236843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).