N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine

C16H24N2O — CID 80645750

IUPACN-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
SMILESCC1(CNCc2cccc3c2NCCC3)CCCO1
InChIInChI=1S/C16H24N2O/c1-16(8-4-10-19-16)12-17-11-14-6-2-5-13-7-3-9-18-15(13)14/h2,5-6,17-18H,3-4,7-12H2,1H3
InChIKeyZODNCSJJTXJICY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.70
Rot. Bonds4

About N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine

N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine (PubChem CID 80645750) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
PubChem CID80645750
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
SMILESCC1(CNCc2cccc3c2NCCC3)CCCO1
InChIInChI=1S/C16H24N2O/c1-16(8-4-10-19-16)12-17-11-14-6-2-5-13-7-3-9-18-15(13)14/h2,5-6,17-18H,3-4,7-12H2,1H3
InChIKeyZODNCSJJTXJICY-UHFFFAOYSA-N
XLogP2.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine (CID 80645750) is N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine is CC1(CNCc2cccc3c2NCCC3)CCCO1.
What is the InChIKey of N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is ZODNCSJJTXJICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(8-4-10-19-16)12-17-11-14-6-2-5-13-7-3-9-18-15(13)14/h2,5-6,17-18H,3-4,7-12H2,1H3.
What are the key properties of N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 80645750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).