2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine

C15H34N2O2 — CID 55087956

IUPAC2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(CCOC)C(C)COC
InChIInChI=1S/C15H34N2O2/c1-6-7-8-9-16-12-14(2)17(10-11-18-4)15(3)13-19-5/h14-16H,6-13H2,1-5H3
InChIKeyAFSGLOIEIFSOOR-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.14
Rot. Bonds13

About 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine (PubChem CID 55087956) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine
PubChem CID55087956
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(CCOC)C(C)COC
InChIInChI=1S/C15H34N2O2/c1-6-7-8-9-16-12-14(2)17(10-11-18-4)15(3)13-19-5/h14-16H,6-13H2,1-5H3
InChIKeyAFSGLOIEIFSOOR-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.14
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

2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-pentylpropane-1,2-diamine
CID 62570007
2-N-butan-2-yl-1-N-butyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 55087275
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine
CID 62448202
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62569622
1-N-ethyl-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
CID 62461616
2-N-(2-methoxyethyl)-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 82953229
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)propane-1,2-diamine
CID 62568181
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine (CID 55087956) is 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine is CCCCCNCC(C)N(CCOC)C(C)COC.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine?
The InChIKey is AFSGLOIEIFSOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-6-7-8-9-16-12-14(2)17(10-11-18-4)15(3)13-19-5/h14-16H,6-13H2,1-5H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 2.14, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine is sourced from PubChem (CID 55087956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).