2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine

C15H34N2O — CID 55072255

IUPAC2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(CC)CNC(C)C
InChIInChI=1S/C15H34N2O/c1-7-14(8-2)17(10-11-18-6)15(9-3)12-16-13(4)5/h13-16H,7-12H2,1-6H3
InChIKeyGZVYQJANKZOTDO-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.90
Rot. Bonds11

About 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 55072255) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID55072255
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(CC)CNC(C)C
InChIInChI=1S/C15H34N2O/c1-7-14(8-2)17(10-11-18-6)15(9-3)12-16-13(4)5/h13-16H,7-12H2,1-6H3
InChIKeyGZVYQJANKZOTDO-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-methoxyethyl)-1-N,2-N-di(pentan-3-yl)propane-1,2-diamine
CID 62568197
2-N-butan-2-yl-2-N-(2-methoxyethyl)-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62462781
2-N-ethyl-3-methoxy-2-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103226108
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 55072209
2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 62568016
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
CID 55072403
3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine
CID 82953440
2-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62449333
1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine
CID 62449357
2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62439025
4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
CID 82952231
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
CID 66429475

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine (CID 55072255) is 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine is CCC(CC)N(CCOC)C(CC)CNC(C)C.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is GZVYQJANKZOTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-7-14(8-2)17(10-11-18-6)15(9-3)12-16-13(4)5/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 55072255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).