N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

C16H28N2O — CID 55089880

IUPACN-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CCNCc1ccccc1)CC(C)C
InChIInChI=1S/C16H28N2O/c1-15(2)14-18(11-12-19-3)10-9-17-13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyCNRHTCUMWDVDDK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.38
Rot. Bonds10

About N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55089880) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55089880
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CCNCc1ccccc1)CC(C)C
InChIInChI=1S/C16H28N2O/c1-15(2)14-18(11-12-19-3)10-9-17-13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyCNRHTCUMWDVDDK-UHFFFAOYSA-N
XLogP2.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62561843
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62555011
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62574591
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62556159
(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 95285904
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
N'-(2-methoxyethyl)-N'-methyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 62843413
N'-benzyl-N-[2-[benzyl-[2-(benzylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 69031173
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62462476

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 55089880) is N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is COCCN(CCNCc1ccccc1)CC(C)C.
What is the InChIKey of N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is CNRHTCUMWDVDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-15(2)14-18(11-12-19-3)10-9-17-13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3.
What are the key properties of N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55089880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).