5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine

C17H26N2 — CID 105007390

IUPAC5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(C(N)C2CCCc3cccnc32)C1(C)C
InChIInChI=1S/C17H26N2/c1-16(2)15(17(16,3)4)13(18)12-9-5-7-11-8-6-10-19-14(11)12/h6,8,10,12-13,15H,5,7,9,18H2,1-4H3
InChIKeyZWRMOEUNHSKXOM-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.51
Rot. Bonds2

About 5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine

5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 105007390) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID105007390
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(C(N)C2CCCc3cccnc32)C1(C)C
InChIInChI=1S/C17H26N2/c1-16(2)15(17(16,3)4)13(18)12-9-5-7-11-8-6-10-19-14(11)12/h6,8,10,12-13,15H,5,7,9,18H2,1-4H3
InChIKeyZWRMOEUNHSKXOM-UHFFFAOYSA-N
XLogP3.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of 5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 105007390) is 5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for 5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for 5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine is CC1(C)C(C(N)C2CCCc3cccnc32)C1(C)C.
What is the InChIKey of 5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is ZWRMOEUNHSKXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-16(2)15(17(16,3)4)13(18)12-9-5-7-11-8-6-10-19-14(11)12/h6,8,10,12-13,15H,5,7,9,18H2,1-4H3.
What are the key properties of 5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine?
5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 105007390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).