N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C14H24N2OS — CID 113411502

IUPACN-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCc1ccsc1CNCCCN1CCOCC1
InChIInChI=1S/C14H24N2OS/c1-2-13-4-11-18-14(13)12-15-5-3-6-16-7-9-17-10-8-16/h4,11,15H,2-3,5-10,12H2,1H3
InChIKeyMUVRHMQGZPZSMN-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.12
Rot. Bonds7

About N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 113411502) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID113411502
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCc1ccsc1CNCCCN1CCOCC1
InChIInChI=1S/C14H24N2OS/c1-2-13-4-11-18-14(13)12-15-5-3-6-16-7-9-17-10-8-16/h4,11,15H,2-3,5-10,12H2,1H3
InChIKeyMUVRHMQGZPZSMN-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.12
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

N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 113411481
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide
CID 113254231
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
CID 17332415
3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433620
2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide
CID 114385097
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
N-[(3-bromothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115379805
N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine
CID 114333451
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 113411502) is N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is CCc1ccsc1CNCCCN1CCOCC1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is MUVRHMQGZPZSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-13-4-11-18-14(13)12-15-5-3-6-16-7-9-17-10-8-16/h4,11,15H,2-3,5-10,12H2,1H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 113411502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).