4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol

C14H20N2O — CID 105491505

IUPAC4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol
SMILESNCC1CCCN2c3cc(O)ccc3CCC12
InChIInChI=1S/C14H20N2O/c15-9-11-2-1-7-16-13(11)6-4-10-3-5-12(17)8-14(10)16/h3,5,8,11,13,17H,1-2,4,6-7,9,15H2
InChIKeyQYGUWPOMBLVJQB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.88
Rot. Bonds1

About 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol

4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol (PubChem CID 105491505) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol
PubChem CID105491505
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol
SMILESNCC1CCCN2c3cc(O)ccc3CCC12
InChIInChI=1S/C14H20N2O/c15-9-11-2-1-7-16-13(11)6-4-10-3-5-12(17)8-14(10)16/h3,5,8,11,13,17H,1-2,4,6-7,9,15H2
InChIKeyQYGUWPOMBLVJQB-UHFFFAOYSA-N
XLogP1.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol with MolForge

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Related Compounds

1-(2-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-7-amine
CID 55251571
7-(aminomethyl)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115057280
(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
CID 105459047
1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol
CID 82404420
8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine
CID 105454768
8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid
CID 105492570
(9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)methanamine
CID 105476033
(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15718602
[2-(3,4-dihydro-2H-quinolin-1-yl)-4-propylcyclohexyl]methanamine
CID 43293445
1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 43428617
1-(3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684922
2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid
CID 82390555

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol?
The IUPAC name of 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol (CID 105491505) is 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol.
What is the SMILES notation for 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol?
The canonical SMILES for 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol is NCC1CCCN2c3cc(O)ccc3CCC12.
What is the InChIKey of 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol?
The InChIKey is QYGUWPOMBLVJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-9-11-2-1-7-16-13(11)6-4-10-3-5-12(17)8-14(10)16/h3,5,8,11,13,17H,1-2,4,6-7,9,15H2.
What are the key properties of 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol?
4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol has a molecular weight of 232.33 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol is sourced from PubChem (CID 105491505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).