N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine

C18H39N3O2S — CID 170249635

IUPACN-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCSCC(C)NCCOCCN1CCOC(CNCC(C)C)C1
InChIInChI=1S/C18H39N3O2S/c1-5-24-15-17(4)20-6-9-22-10-7-21-8-11-23-18(14-21)13-19-12-16(2)3/h16-20H,5-15H2,1-4H3
InChIKeyZACVRMHLQNAEAG-UHFFFAOYSA-N
MW361.60 g/mol
LogP1.68
Rot. Bonds14

About N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 170249635) has the molecular formula C18H39N3O2S and a molecular weight of 361.60 g/mol. Its IUPAC name is N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID170249635
Molecular FormulaC18H39N3O2S
Molecular Weight361.60 g/mol
Exact Mass361.28
IUPAC NameN-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCSCC(C)NCCOCCN1CCOC(CNCC(C)C)C1
InChIInChI=1S/C18H39N3O2S/c1-5-24-15-17(4)20-6-9-22-10-7-21-8-11-23-18(14-21)13-19-12-16(2)3/h16-20H,5-15H2,1-4H3
InChIKeyZACVRMHLQNAEAG-UHFFFAOYSA-N
XLogP1.68
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine (CID 170249635) is N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine is CCSCC(C)NCCOCCN1CCOC(CNCC(C)C)C1.
What is the InChIKey of N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZACVRMHLQNAEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O2S/c1-5-24-15-17(4)20-6-9-22-10-7-21-8-11-23-18(14-21)13-19-12-16(2)3/h16-20H,5-15H2,1-4H3.
What are the key properties of N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 361.60 g/mol, XLogP of 1.68, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[2-(1-ethylsulfanylpropan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 170249635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).