N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine

C18H29N3 — CID 79079166

IUPACN-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)(C)N1CCC(NC2CCCc3cccnc32)CC1
InChIInChI=1S/C18H29N3/c1-18(2,3)21-12-9-15(10-13-21)20-16-8-4-6-14-7-5-11-19-17(14)16/h5,7,11,15-16,20H,4,6,8-10,12-13H2,1-3H3
InChIKeyHTHUDZHMTSUVJA-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.31
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79079166) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79079166
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)(C)N1CCC(NC2CCCc3cccnc32)CC1
InChIInChI=1S/C18H29N3/c1-18(2,3)21-12-9-15(10-13-21)20-16-8-4-6-14-7-5-11-19-17(14)16/h5,7,11,15-16,20H,4,6,8-10,12-13H2,1-3H3
InChIKeyHTHUDZHMTSUVJA-UHFFFAOYSA-N
XLogP3.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-cyclohex-3-en-1-yl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079008
1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one
CID 106253120
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 114149434
N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079351
N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079118
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
CID 86621567

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 79079166) is N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine is CC(C)(C)N1CCC(NC2CCCc3cccnc32)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is HTHUDZHMTSUVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(2,3)21-12-9-15(10-13-21)20-16-8-4-6-14-7-5-11-19-17(14)16/h5,7,11,15-16,20H,4,6,8-10,12-13H2,1-3H3.
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 287.45 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79079166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).