1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine

C16H25N3 — CID 80648401

IUPAC1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
SMILESCN1CCC(CNCc2cccc3c2NCCC3)C1
InChIInChI=1S/C16H25N3/c1-19-9-7-13(12-19)10-17-11-15-5-2-4-14-6-3-8-18-16(14)15/h2,4-5,13,17-18H,3,6-12H2,1H3
InChIKeyMYINHAOWBHIUPG-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.09
Rot. Bonds4

About 1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine

1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine (PubChem CID 80648401) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
PubChem CID80648401
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
SMILESCN1CCC(CNCc2cccc3c2NCCC3)C1
InChIInChI=1S/C16H25N3/c1-19-9-7-13(12-19)10-17-11-15-5-2-4-14-6-3-8-18-16(14)15/h2,4-5,13,17-18H,3,6-12H2,1H3
InChIKeyMYINHAOWBHIUPG-UHFFFAOYSA-N
XLogP2.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 80650398
1-(1-methylpyrrolidin-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 106024044
3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol
CID 80649380
1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80648402
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
1-(4-ethylmorpholin-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 114399580
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648906
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
4-ethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclohexan-1-amine
CID 80648414

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine (CID 80648401) is 1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine is CN1CCC(CNCc2cccc3c2NCCC3)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
The InChIKey is MYINHAOWBHIUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-19-9-7-13(12-19)10-17-11-15-5-2-4-14-6-3-8-18-16(14)15/h2,4-5,13,17-18H,3,6-12H2,1H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine has a molecular weight of 259.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine is sourced from PubChem (CID 80648401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).