[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine

C15H22ClN3 — CID 107055207

IUPAC[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine
SMILESNCc1ccnc(N2CCCC3CCCCC32)c1Cl
InChIInChI=1S/C15H22ClN3/c16-14-12(10-17)7-8-18-15(14)19-9-3-5-11-4-1-2-6-13(11)19/h7-8,11,13H,1-6,9-10,17H2
InChIKeyGABBKEYZHKFBQM-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.35
Rot. Bonds2

About [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine (PubChem CID 107055207) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine
PubChem CID107055207
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine
SMILESNCc1ccnc(N2CCCC3CCCCC32)c1Cl
InChIInChI=1S/C15H22ClN3/c16-14-12(10-17)7-8-18-15(14)19-9-3-5-11-4-1-2-6-13(11)19/h7-8,11,13H,1-6,9-10,17H2
InChIKeyGABBKEYZHKFBQM-UHFFFAOYSA-N
XLogP3.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine?
The IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine (CID 107055207) is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine is NCc1ccnc(N2CCCC3CCCCC32)c1Cl.
What is the InChIKey of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine?
The InChIKey is GABBKEYZHKFBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-14-12(10-17)7-8-18-15(14)19-9-3-5-11-4-1-2-6-13(11)19/h7-8,11,13H,1-6,9-10,17H2.
What are the key properties of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine?
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine has a molecular weight of 279.81 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine is sourced from PubChem (CID 107055207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).