4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine

C13H30N2O — CID 62459863

IUPAC4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
SMILESCCN(CC)CCOCCCCNC(C)C
InChIInChI=1S/C13H30N2O/c1-5-15(6-2)10-12-16-11-8-7-9-14-13(3)4/h13-14H,5-12H2,1-4H3
InChIKeyQJZWNYRUIMWGDC-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds11

About 4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine

4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine (PubChem CID 62459863) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
PubChem CID62459863
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
SMILESCCN(CC)CCOCCCCNC(C)C
InChIInChI=1S/C13H30N2O/c1-5-15(6-2)10-12-16-11-8-7-9-14-13(3)4/h13-14H,5-12H2,1-4H3
InChIKeyQJZWNYRUIMWGDC-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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

4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 156884797
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 115000912
4-[2-(diethylamino)ethoxy]butan-1-amine
CID 62459330
N-(2-decoxyethyl)propan-2-amine
CID 63399572
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
20-[20-(diethylamino)icosoxy]-N,N-diethylicosan-1-amine
CID 87698049
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine (CID 62459863) is 4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine is CCN(CC)CCOCCCCNC(C)C.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine?
The InChIKey is QJZWNYRUIMWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-15(6-2)10-12-16-11-8-7-9-14-13(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine?
4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62459863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).