ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline

C21H35N3O — CID 144672384

IUPACethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline
SMILESCC.CC(C)c1cnc2ccccc2c1.CNCCN1CCOCC1
InChIInChI=1S/C12H13N.C7H16N2O.C2H6/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8-2-3-9-4-6-10-7-5-9;1-2/h3-9H,1-2H3;8H,2-7H2,1H3;1-2H3
InChIKeyROYMXPYHYWJROT-UHFFFAOYSA-N
MW345.53 g/mol
LogP3.92
Rot. Bonds4

About ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline

ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline (PubChem CID 144672384) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline.

Molecular Properties

Compound Nameethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline
PubChem CID144672384
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Nameethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline
SMILESCC.CC(C)c1cnc2ccccc2c1.CNCCN1CCOCC1
InChIInChI=1S/C12H13N.C7H16N2O.C2H6/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8-2-3-9-4-6-10-7-5-9;1-2/h3-9H,1-2H3;8H,2-7H2,1H3;1-2H3
InChIKeyROYMXPYHYWJROT-UHFFFAOYSA-N
XLogP3.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Morpholinomethyl)indole
CID 21477
4-Piperazin-1-yl-quinoline
CID 1534386
Diethyl[4-(4-quinolylamino)pentyl]amine
CID 474865
Quinoline, 4-(2-diethylamino)ethylamino-
CID 10562205
5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one
CID 454441
[4-(4-Methylpiperazinyl)phenyl]-4-quinolylamine
CID 4567175
Quinoline, 4-(4-morpholinyl)-2-(2-pyridinyl)-
CID 453059
N-(2-Morpholin-4-ylethyl)benzo(g)quinolin-4-amine
CID 182791
N-(Pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine (12a)
CID 122199186
N-[2-(Dimethylamino)ethyl]-2-(3-pyridyl)quinolin-4-amine
CID 453066
(2,8-Dimethyl-quinolin-4-yl)-(4-morpholin-4-yl-phenyl)-amine
CID 2791902
2-[1-Isobutyl-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16189802

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline?
The IUPAC name of ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline (CID 144672384) is ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline.
What is the SMILES notation for ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline?
The canonical SMILES for ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline is CC.CC(C)c1cnc2ccccc2c1.CNCCN1CCOCC1.
What is the InChIKey of ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline?
The InChIKey is ROYMXPYHYWJROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C7H16N2O.C2H6/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8-2-3-9-4-6-10-7-5-9;1-2/h3-9H,1-2H3;8H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline?
ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline has a molecular weight of 345.53 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline is sourced from PubChem (CID 144672384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).