2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine

C17H30N2O — CID 79008492

IUPAC2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine
SMILESCCN(C(C)COC)C(CC)(CN)Cc1ccccc1
InChIInChI=1S/C17H30N2O/c1-5-17(14-18,12-16-10-8-7-9-11-16)19(6-2)15(3)13-20-4/h7-11,15H,5-6,12-14,18H2,1-4H3
InChIKeyNGHMFDSBMLJTHS-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.69
Rot. Bonds9

About 2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine

2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine (PubChem CID 79008492) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine
PubChem CID79008492
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine
SMILESCCN(C(C)COC)C(CC)(CN)Cc1ccccc1
InChIInChI=1S/C17H30N2O/c1-5-17(14-18,12-16-10-8-7-9-11-16)19(6-2)15(3)13-20-4/h7-11,15H,5-6,12-14,18H2,1-4H3
InChIKeyNGHMFDSBMLJTHS-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-2-N-cyclopropyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 79008023
2-benzyl-2-N-methyl-2-N-(4-methylpentan-2-yl)butane-1,2-diamine
CID 79008228
2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867392
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine
CID 62881786
2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 55129264
(2R)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 78985414
(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 61163368
2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine
CID 79008800
1-ethyl-1-(1-methoxypropan-2-yl)-2-phenylguanidine
CID 62361645
2-methyl-3-phenyl-2-propan-2-yloxypropanamide
CID 142432674
2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114989368

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine?
The IUPAC name of 2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine (CID 79008492) is 2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine is CCN(C(C)COC)C(CC)(CN)Cc1ccccc1.
What is the InChIKey of 2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine?
The InChIKey is NGHMFDSBMLJTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-17(14-18,12-16-10-8-7-9-11-16)19(6-2)15(3)13-20-4/h7-11,15H,5-6,12-14,18H2,1-4H3.
What are the key properties of 2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine?
2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine is sourced from PubChem (CID 79008492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).