N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine

C13H30N2O — CID 156884771

IUPACN'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
SMILESCCNCCCCN(C)CCCCOCC
InChIInChI=1S/C13H30N2O/c1-4-14-10-6-7-11-15(3)12-8-9-13-16-5-2/h14H,4-13H2,1-3H3
InChIKeyLVCLNLAIDGYAMX-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds12

About N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine

N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine (PubChem CID 156884771) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
PubChem CID156884771
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
SMILESCCNCCCCN(C)CCCCOCC
InChIInChI=1S/C13H30N2O/c1-4-14-10-6-7-11-15(3)12-8-9-13-16-5-2/h14H,4-13H2,1-3H3
InChIKeyLVCLNLAIDGYAMX-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
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'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 81068457
N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 81068399
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65175029
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208969
ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen
CID 145215099
N'-(3-ethoxypropyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65175588
N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 62557181
7-ethoxy-N-propylheptan-1-amine
CID 163393813

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine (CID 156884771) is N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine is CCNCCCCN(C)CCCCOCC.
What is the InChIKey of N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine?
The InChIKey is LVCLNLAIDGYAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-4-14-10-6-7-11-15(3)12-8-9-13-16-5-2/h14H,4-13H2,1-3H3.
What are the key properties of N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine?
N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 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'-methylbutane-1,4-diamine is sourced from PubChem (CID 156884771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).