N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine

C13H20N2 — CID 70340208

IUPACN-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine
SMILESC=C1C=CC=C2[C@@H](CNC)C[C@@H](C)CN12
InChIInChI=1S/C13H20N2/c1-10-7-12(8-14-3)13-6-4-5-11(2)15(13)9-10/h4-6,10,12,14H,2,7-9H2,1,3H3/t10-,12-/m1/s1
InChIKeyNHVNBTNQHHSWHU-ZYHUDNBSSA-N
MW204.32 g/mol
LogP2.13
Rot. Bonds2

About N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine

N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine (PubChem CID 70340208) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine
PubChem CID70340208
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine
SMILESC=C1C=CC=C2[C@@H](CNC)C[C@@H](C)CN12
InChIInChI=1S/C13H20N2/c1-10-7-12(8-14-3)13-6-4-5-11(2)15(13)9-10/h4-6,10,12,14H,2,7-9H2,1,3H3/t10-,12-/m1/s1
InChIKeyNHVNBTNQHHSWHU-ZYHUDNBSSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine (CID 70340208) is N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine is C=C1C=CC=C2[C@@H](CNC)C[C@@H](C)CN12.
What is the InChIKey of N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine?
The InChIKey is NHVNBTNQHHSWHU-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-7-12(8-14-3)13-6-4-5-11(2)15(13)9-10/h4-6,10,12,14H,2,7-9H2,1,3H3/t10-,12-/m1/s1.
What are the key properties of N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine?
N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine is sourced from PubChem (CID 70340208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).