N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine

C13H22N2OS — CID 83100890

IUPACN-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-2-5-14-9-12-11-16-7-6-15(12)10-13-4-3-8-17-13/h3-4,8,12,14H,2,5-7,9-11H2,1H3
InChIKeyLRVGPPVIEIPNFY-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.95
Rot. Bonds6

About N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine

N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine (PubChem CID 83100890) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
PubChem CID83100890
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-2-5-14-9-12-11-16-7-6-15(12)10-13-4-3-8-17-13/h3-4,8,12,14H,2,5-7,9-11H2,1H3
InChIKeyLRVGPPVIEIPNFY-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine (CID 83100890) is N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1Cc1cccs1.
What is the InChIKey of N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is LRVGPPVIEIPNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-5-14-9-12-11-16-7-6-15(12)10-13-4-3-8-17-13/h3-4,8,12,14H,2,5-7,9-11H2,1H3.
What are the key properties of N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine?
N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 83100890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).