6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile

C28H40N4 — CID 176954877

IUPAC6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile
SMILESCCCCN(CCC)c1cc(CC)nc2c1CCC(c1c(CCC)ccc(N)c1C#N)C2
InChIInChI=1S/C28H40N4/c1-5-9-16-32(15-7-3)27-18-22(8-4)31-26-17-21(11-13-23(26)27)28-20(10-6-2)12-14-25(30)24(28)19-29/h12,14,18,21H,5-11,13,15-17,30H2,1-4H3
InChIKeyHXXRRKSIXIDSMC-UHFFFAOYSA-N
MW432.66 g/mol
LogP6.34
Rot. Bonds10

About 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile

6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile (PubChem CID 176954877) has the molecular formula C28H40N4 and a molecular weight of 432.66 g/mol. Its IUPAC name is 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile.

Molecular Properties

Compound Name6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile
PubChem CID176954877
Molecular FormulaC28H40N4
Molecular Weight432.66 g/mol
Exact Mass432.33
IUPAC Name6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile
SMILESCCCCN(CCC)c1cc(CC)nc2c1CCC(c1c(CCC)ccc(N)c1C#N)C2
InChIInChI=1S/C28H40N4/c1-5-9-16-32(15-7-3)27-18-22(8-4)31-26-17-21(11-13-23(26)27)28-20(10-6-2)12-14-25(30)24(28)19-29/h12,14,18,21H,5-11,13,15-17,30H2,1-4H3
InChIKeyHXXRRKSIXIDSMC-UHFFFAOYSA-N
XLogP6.34
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.66
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile with MolForge

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Related Compounds

Propidium
CID 4939
N-heptyl-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10638726
FGI-106 free base
CID 432342
Butyl-ethyl-[2-methyl-8-(2,4,6-trimethyl-phenyl)-quinolin-4-yl]-amine
CID 9950788
[4-(3,4-Dimethylpiperazin-1-yl)phenyl]-(2,3,5,7-tetramethylquinolin-4-yl)amine
CID 11741010
10-(4,9-Diamino-2-phenylbenzo[h]quinolin-1-ium-1-yl)decyl-trimethylazanium dichloride
CID 45266444
15-Ethyl-5-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine
CID 44339289
Butyl-[2-methyl-8-(2,4,6-trimethyl-phenyl)-quinolin-4-yl]-propyl-amine
CID 44341765
Cyclopropylmethyl-[2-methyl-8-(2,4,6-trimethyl-phenyl)-quinolin-4-yl]-propyl-amine
CID 44342074
[2-Methyl-8-(2,4,6-trimethyl-phenyl)-quinolin-4-yl]-dipropyl-amine
CID 44342075
15-Ethyl-5,7-dimethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine
CID 44361622
4-[(2,6-Dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride
CID 44523617

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile?
The IUPAC name of 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile (CID 176954877) is 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile.
What is the SMILES notation for 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile?
The canonical SMILES for 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile is CCCCN(CCC)c1cc(CC)nc2c1CCC(c1c(CCC)ccc(N)c1C#N)C2.
What is the InChIKey of 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile?
The InChIKey is HXXRRKSIXIDSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4/c1-5-9-16-32(15-7-3)27-18-22(8-4)31-26-17-21(11-13-23(26)27)28-20(10-6-2)12-14-25(30)24(28)19-29/h12,14,18,21H,5-11,13,15-17,30H2,1-4H3.
What are the key properties of 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile?
6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile has a molecular weight of 432.66 g/mol, XLogP of 6.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[4-[butyl(propyl)amino]-2-ethyl-5,6,7,8-tetrahydroquinolin-7-yl]-3-propylbenzonitrile is sourced from PubChem (CID 176954877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).