1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine

C15H34N2O — CID 55072209

IUPAC1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(C)CNC(C)(C)C
InChIInChI=1S/C15H34N2O/c1-8-14(9-2)17(10-11-18-7)13(3)12-16-15(4,5)6/h13-14,16H,8-12H2,1-7H3
InChIKeyDHANXGPBPVKNHL-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.90
Rot. Bonds9

About 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine

1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 55072209) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
PubChem CID55072209
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(C)CNC(C)(C)C
InChIInChI=1S/C15H34N2O/c1-8-14(9-2)17(10-11-18-7)13(3)12-16-15(4,5)6/h13-14,16H,8-12H2,1-7H3
InChIKeyDHANXGPBPVKNHL-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 62568016
2-N-(2-methoxyethyl)-1-N,2-N-di(pentan-3-yl)propane-1,2-diamine
CID 62568197
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072255
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340233
N-[2-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62457300
1-N-tert-butyl-2-N,2-N-bis(2-ethoxyethyl)propane-1,2-diamine
CID 82953132
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
CID 55072403
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62429784
N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228941

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine (CID 55072209) is 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)N(CCOC)C(C)CNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is DHANXGPBPVKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-8-14(9-2)17(10-11-18-7)13(3)12-16-15(4,5)6/h13-14,16H,8-12H2,1-7H3.
What are the key properties of 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine?
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 55072209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).