1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine

C13H30N2O — CID 82948133

IUPAC1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCC(C)C(CN(CCOC)C(C)C)NC
InChIInChI=1S/C13H30N2O/c1-7-12(4)13(14-5)10-15(11(2)3)8-9-16-6/h11-14H,7-10H2,1-6H3
InChIKeyCIPZXDRRUIIVDF-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds9

About 1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine

1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine (PubChem CID 82948133) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
PubChem CID82948133
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCC(C)C(CN(CCOC)C(C)C)NC
InChIInChI=1S/C13H30N2O/c1-7-12(4)13(14-5)10-15(11(2)3)8-9-16-6/h11-14H,7-10H2,1-6H3
InChIKeyCIPZXDRRUIIVDF-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82951118
(2R)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103934791
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,3-dimethylpentan-2-amine
CID 104560546
1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
CID 104560721
(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 167207521
N,4-dimethylhexan-3-amine
CID 63559808
3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol
CID 64825973
N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 82949092
3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
CID 107505554
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 107505355
8-methoxy-N,4-dimethyloctan-3-amine
CID 104648384

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine (CID 82948133) is 1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine is CCC(C)C(CN(CCOC)C(C)C)NC.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is CIPZXDRRUIIVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-12(4)13(14-5)10-15(11(2)3)8-9-16-6/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine?
1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 82948133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).