5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate

C19H31N3O2 — CID 91500558

IUPAC5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCCCCNC1CCCc2cccnc21
InChIInChI=1S/C19H31N3O2/c1-19(2,3)22-18(23)24-14-6-4-5-12-20-16-11-7-9-15-10-8-13-21-17(15)16/h8,10,13,16,20H,4-7,9,11-12,14H2,1-3H3,(H,22,23)
InChIKeyLMXOJAMMKZMRLE-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.74
Rot. Bonds7

About 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate

5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate (PubChem CID 91500558) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate
PubChem CID91500558
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCCCCNC1CCCc2cccnc21
InChIInChI=1S/C19H31N3O2/c1-19(2,3)22-18(23)24-14-6-4-5-12-20-16-11-7-9-15-10-8-13-21-17(15)16/h8,10,13,16,20H,4-7,9,11-12,14H2,1-3H3,(H,22,23)
InChIKeyLMXOJAMMKZMRLE-UHFFFAOYSA-N
XLogP3.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
CID 86621567
tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentanoate
CID 69157433
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172
3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 114149434
N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079663
N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079118
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760

Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate?
The IUPAC name of 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate (CID 91500558) is 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate.
What is the SMILES notation for 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate?
The canonical SMILES for 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCCCCNC1CCCc2cccnc21.
What is the InChIKey of 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate?
The InChIKey is LMXOJAMMKZMRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2,3)22-18(23)24-14-6-4-5-12-20-16-11-7-9-15-10-8-13-21-17(15)16/h8,10,13,16,20H,4-7,9,11-12,14H2,1-3H3,(H,22,23).
What are the key properties of 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate?
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate has a molecular weight of 333.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate is sourced from PubChem (CID 91500558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).