1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine

C18H26N2 — CID 80648906

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
SMILESc1cc2c(c(CNCC3CC4CCC3C4)c1)NCCC2
InChIInChI=1S/C18H26N2/c1-3-14-5-2-8-20-18(14)16(4-1)11-19-12-17-10-13-6-7-15(17)9-13/h1,3-4,13,15,17,19-20H,2,5-12H2
InChIKeyHZSXBARUGFNFHD-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.57
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine (PubChem CID 80648906) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
PubChem CID80648906
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
SMILESc1cc2c(c(CNCC3CC4CCC3C4)c1)NCCC2
InChIInChI=1S/C18H26N2/c1-3-14-5-2-8-20-18(14)16(4-1)11-19-12-17-10-13-6-7-15(17)9-13/h1,3-4,13,15,17,19-20H,2,5-12H2
InChIKeyHZSXBARUGFNFHD-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine with MolForge

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Related Compounds

8-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106780595
3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol
CID 80649380
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
1-(1-methylpyrrolidin-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 106024044
1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648401
8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779417
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
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
1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648841
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine (CID 80648906) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine is c1cc2c(c(CNCC3CC4CCC3C4)c1)NCCC2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
The InChIKey is HZSXBARUGFNFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-14-5-2-8-20-18(14)16(4-1)11-19-12-17-10-13-6-7-15(17)9-13/h1,3-4,13,15,17,19-20H,2,5-12H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine has a molecular weight of 270.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine is sourced from PubChem (CID 80648906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).