N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen

C14H34N2O — CID 156884797

IUPACN'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
SMILESCCOCCCCN(CC)CCCNC(C)C.[H][H]
InChIInChI=1S/C14H32N2O.H2/c1-5-16(11-7-8-13-17-6-2)12-9-10-15-14(3)4;/h14-15H,5-13H2,1-4H3;1H
InChIKeyHHFUPWIRQONBDG-UHFFFAOYSA-N
MW246.44 g/mol
LogP2.76
Rot. Bonds12

About N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen

N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen (PubChem CID 156884797) has the molecular formula C14H34N2O and a molecular weight of 246.44 g/mol. Its IUPAC name is N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen.

Molecular Properties

Compound NameN'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
PubChem CID156884797
Molecular FormulaC14H34N2O
Molecular Weight246.44 g/mol
Exact Mass246.27
IUPAC NameN'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
SMILESCCOCCCCN(CC)CCCNC(C)C.[H][H]
InChIInChI=1S/C14H32N2O.H2/c1-5-16(11-7-8-13-17-6-2)12-9-10-15-14(3)4;/h14-15H,5-13H2,1-4H3;1H
InChIKeyHHFUPWIRQONBDG-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 52.76
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

4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 62459863
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
2-N-(3-ethoxypropyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 65175830
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 63528013
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 81067945
3-[3-ethoxypropyl(ethyl)amino]propanoic acid
CID 65180873
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
20-[20-(diethylamino)icosoxy]-N,N-diethylicosan-1-amine
CID 87698049
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen?
The IUPAC name of N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen (CID 156884797) is N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen.
What is the SMILES notation for N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen?
The canonical SMILES for N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen is CCOCCCCN(CC)CCCNC(C)C.[H][H].
What is the InChIKey of N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen?
The InChIKey is HHFUPWIRQONBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O.H2/c1-5-16(11-7-8-13-17-6-2)12-9-10-15-14(3)4;/h14-15H,5-13H2,1-4H3;1H.
What are the key properties of N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen?
N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen has a molecular weight of 246.44 g/mol, XLogP of 2.76, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen is sourced from PubChem (CID 156884797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).