ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine

C22H39N3O — CID 142040639

IUPACethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine
SMILESCC.CC.CNCCN1CCOCC1.NCc1cccc2ccccc12
InChIInChI=1S/C11H11N.C7H16N2O.2C2H6/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-8-2-3-9-4-6-10-7-5-9;2*1-2/h1-7H,8,12H2;8H,2-7H2,1H3;2*1-2H3
InChIKeyVSYUDINQXUUMJF-UHFFFAOYSA-N
MW361.57 g/mol
LogP3.89
Rot. Bonds4

About ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine

ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine (PubChem CID 142040639) has the molecular formula C22H39N3O and a molecular weight of 361.57 g/mol. Its IUPAC name is ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine
PubChem CID142040639
Molecular FormulaC22H39N3O
Molecular Weight361.57 g/mol
Exact Mass361.31
IUPAC Nameethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine
SMILESCC.CC.CNCCN1CCOCC1.NCc1cccc2ccccc12
InChIInChI=1S/C11H11N.C7H16N2O.2C2H6/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-8-2-3-9-4-6-10-7-5-9;2*1-2/h1-7H,8,12H2;8H,2-7H2,1H3;2*1-2H3
InChIKeyVSYUDINQXUUMJF-UHFFFAOYSA-N
XLogP3.89
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-morpholin-4-ylethyl)indol-3-yl]methanamine
CID 66407723
N-methyl-2-morpholin-4-ylethanamine;molecular hydrogen
CID 143640277
ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline
CID 144672384
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 107234652
1-[2-(dimethylamino)ethyl]-3-(3-morpholin-4-ylpropyl)-1-(naphthalen-1-ylmethyl)thiourea
CID 20628304
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
[2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate
CID 142022844
N-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)morpholine-4-carboxamide
CID 3807765
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine?
The IUPAC name of ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine (CID 142040639) is ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine.
What is the SMILES notation for ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine?
The canonical SMILES for ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine is CC.CC.CNCCN1CCOCC1.NCc1cccc2ccccc12.
What is the InChIKey of ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine?
The InChIKey is VSYUDINQXUUMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C7H16N2O.2C2H6/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-8-2-3-9-4-6-10-7-5-9;2*1-2/h1-7H,8,12H2;8H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine?
ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine has a molecular weight of 361.57 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-morpholin-4-ylethanamine;naphthalen-1-ylmethanamine is sourced from PubChem (CID 142040639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).