tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate

C16H25N3O2 — CID 86621567

IUPACtert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCCc2cccnc21
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-10-17-13-8-4-6-12-7-5-9-18-14(12)13/h5,7,9,13,17H,4,6,8,10-11H2,1-3H3,(H,19,20)
InChIKeyQPMQMADXOIQDTN-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.57
Rot. Bonds4

About tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate

tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate (PubChem CID 86621567) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
PubChem CID86621567
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCCc2cccnc21
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-10-17-13-8-4-6-12-7-5-9-18-14(12)13/h5,7,9,13,17H,4,6,8,10-11H2,1-3H3,(H,19,20)
InChIKeyQPMQMADXOIQDTN-UHFFFAOYSA-N
XLogP2.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.57
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

tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentanoate
CID 69157433
tert-butyl N-[(E)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)but-2-enyl]carbamate
CID 107252998
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-methylcarbamate
CID 107245083
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate
CID 91500558
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
tert-butyl N-[2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamate
CID 86619785
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-ethylcarbamate
CID 107245384
tert-butyl N-[3-[benzyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate
CID 141069479
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 114149434
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate (CID 86621567) is tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNC1CCCc2cccnc21.
What is the InChIKey of tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate?
The InChIKey is QPMQMADXOIQDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-10-17-13-8-4-6-12-7-5-9-18-14(12)13/h5,7,9,13,17H,4,6,8,10-11H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate?
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate has a molecular weight of 291.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate is sourced from PubChem (CID 86621567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).