N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine

C16H36N2O — CID 81075032

IUPACN-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(C)CCOCC
InChIInChI=1S/C16H36N2O/c1-7-9-16(5,13-17-12-15(3)4)14-18(6)10-11-19-8-2/h15,17H,7-14H2,1-6H3
InChIKeyGUQNKVNFYHCKOF-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.01
Rot. Bonds12

About N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine

N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine (PubChem CID 81075032) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
PubChem CID81075032
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(C)CCOCC
InChIInChI=1S/C16H36N2O/c1-7-9-16(5,13-17-12-15(3)4)14-18(6)10-11-19-8-2/h15,17H,7-14H2,1-6H3
InChIKeyGUQNKVNFYHCKOF-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.01
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-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63699320
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211040
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 102997053
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63690537
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256998
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
CID 62337553
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine
CID 82743616
2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
CID 63482502

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine (CID 81075032) is N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine is CCCC(C)(CNCC(C)C)CN(C)CCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The InChIKey is GUQNKVNFYHCKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-9-16(5,13-17-12-15(3)4)14-18(6)10-11-19-8-2/h15,17H,7-14H2,1-6H3.
What are the key properties of N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.01, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 81075032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).