2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine

C13H30N2O2S — CID 103088754

IUPAC2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)CCCSC
InChIInChI=1S/C13H30N2O2S/c1-16-9-5-7-15(8-10-17-2)13(12-14)6-4-11-18-3/h13H,4-12,14H2,1-3H3
InChIKeyKHNPHPXLAGAGRM-UHFFFAOYSA-N
MW278.46 g/mol
LogP1.44
Rot. Bonds13

About 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine (PubChem CID 103088754) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine
PubChem CID103088754
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC Name2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)CCCSC
InChIInChI=1S/C13H30N2O2S/c1-16-9-5-7-15(8-10-17-2)13(12-14)6-4-11-18-3/h13H,4-12,14H2,1-3H3
InChIKeyKHNPHPXLAGAGRM-UHFFFAOYSA-N
XLogP1.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine
CID 66268426
2-N,2-N-bis(2-ethoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 82965661
2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149
2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 61453540
3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 103227183
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
CID 54987130
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 55004208
2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine
CID 103089079
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide
CID 66428252
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745
2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
CID 82965560

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine (CID 103088754) is 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine is COCCCN(CCOC)C(CN)CCCSC.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine?
The InChIKey is KHNPHPXLAGAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-16-9-5-7-15(8-10-17-2)13(12-14)6-4-11-18-3/h13H,4-12,14H2,1-3H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine has a molecular weight of 278.46 g/mol, XLogP of 1.44, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine is sourced from PubChem (CID 103088754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).