tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate

C24H33N3O2 — CID 141069479

IUPACtert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C1CCCc2cccnc21
InChIInChI=1S/C24H33N3O2/c1-24(2,3)29-23(28)26-16-9-17-27(18-19-10-5-4-6-11-19)21-14-7-12-20-13-8-15-25-22(20)21/h4-6,8,10-11,13,15,21H,7,9,12,14,16-18H2,1-3H3,(H,26,28)
InChIKeyOJHUCWDXGRMURX-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.88
Rot. Bonds7

About tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate

tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate (PubChem CID 141069479) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate
PubChem CID141069479
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Nametert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C1CCCc2cccnc21
InChIInChI=1S/C24H33N3O2/c1-24(2,3)29-23(28)26-16-9-17-27(18-19-10-5-4-6-11-19)21-14-7-12-20-13-8-15-25-22(20)21/h4-6,8,10-11,13,15,21H,7,9,12,14,16-18H2,1-3H3,(H,26,28)
InChIKeyOJHUCWDXGRMURX-UHFFFAOYSA-N
XLogP4.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-4-(2-phenylethyl)piperazine-1-carboxylate
CID 170233875
3-[[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 135313956
tert-butyl N-[3-[2-(dimethylamino)-5-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]propyl]carbamate
CID 157141970
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
CID 86621567
benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]piperazine-1-carboxylate
CID 59176433
4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid
CID 69229967
tert-butyl 2-[4-[9H-indeno[2,1-c]pyridin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 59176447
3-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propylurea
CID 59694175
benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483
tert-butyl 4-[2-[[benzyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-3-methylbenzimidazol-4-yl]piperazine-1-carboxylate
CID 69230273
tert-butyl N-[[4-[[2-(benzimidazol-1-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)carbamate
CID 22018749
N-benzyl-N'-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)ethane-1,2-diamine;hydrobromide
CID 46205813

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate (CID 141069479) is tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C1CCCc2cccnc21.
What is the InChIKey of tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate?
The InChIKey is OJHUCWDXGRMURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-24(2,3)29-23(28)26-16-9-17-27(18-19-10-5-4-6-11-19)21-14-7-12-20-13-8-15-25-22(20)21/h4-6,8,10-11,13,15,21H,7,9,12,14,16-18H2,1-3H3,(H,26,28).
What are the key properties of tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate?
tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate has a molecular weight of 395.55 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate is sourced from PubChem (CID 141069479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).