3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride

C12H22Cl2N2OS — CID 17332415

IUPAC3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
SMILESCl.Cl.c1cc(CNCCCN2CCOCC2)cs1
InChIInChI=1S/C12H20N2OS.2ClH/c1(4-14-5-7-15-8-6-14)3-13-10-12-2-9-16-11-12;;/h2,9,11,13H,1,3-8,10H2;2*1H
InChIKeyMCZIIEYFOJGCQM-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.40
Rot. Bonds6

About 3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride

3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride (PubChem CID 17332415) has the molecular formula C12H22Cl2N2OS and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
PubChem CID17332415
Molecular FormulaC12H22Cl2N2OS
Molecular Weight313.29 g/mol
Exact Mass312.08
IUPAC Name3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
SMILESCl.Cl.c1cc(CNCCCN2CCOCC2)cs1
InChIInChI=1S/C12H20N2OS.2ClH/c1(4-14-5-7-15-8-6-14)3-13-10-12-2-9-16-11-12;;/h2,9,11,13H,1,3-8,10H2;2*1H
InChIKeyMCZIIEYFOJGCQM-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride
CID 17289507
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride (CID 17332415) is 3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride is Cl.Cl.c1cc(CNCCCN2CCOCC2)cs1.
What is the InChIKey of 3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride?
The InChIKey is MCZIIEYFOJGCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS.2ClH/c1(4-14-5-7-15-8-6-14)3-13-10-12-2-9-16-11-12;;/h2,9,11,13H,1,3-8,10H2;2*1H.
What are the key properties of 3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride?
3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride has a molecular weight of 313.29 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 17332415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).