N-butyl-N-(diethoxymethyl)butan-1-amine

C13H29NO2 — CID 14803554

IUPACN-butyl-N-(diethoxymethyl)butan-1-amine
SMILESCCCCN(CCCC)C(OCC)OCC
InChIInChI=1S/C13H29NO2/c1-5-9-11-14(12-10-6-2)13(15-7-3)16-8-4/h13H,5-12H2,1-4H3
InChIKeyRQDSQXSFJWNZRN-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.25
Rot. Bonds11

About N-butyl-N-(diethoxymethyl)butan-1-amine

N-butyl-N-(diethoxymethyl)butan-1-amine (PubChem CID 14803554) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-butyl-N-(diethoxymethyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(diethoxymethyl)butan-1-amine
PubChem CID14803554
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-butyl-N-(diethoxymethyl)butan-1-amine
SMILESCCCCN(CCCC)C(OCC)OCC
InChIInChI=1S/C13H29NO2/c1-5-9-11-14(12-10-6-2)13(15-7-3)16-8-4/h13H,5-12H2,1-4H3
InChIKeyRQDSQXSFJWNZRN-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(diethoxymethyl)butan-1-amine?
The IUPAC name of N-butyl-N-(diethoxymethyl)butan-1-amine (CID 14803554) is N-butyl-N-(diethoxymethyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(diethoxymethyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(diethoxymethyl)butan-1-amine is CCCCN(CCCC)C(OCC)OCC.
What is the InChIKey of N-butyl-N-(diethoxymethyl)butan-1-amine?
The InChIKey is RQDSQXSFJWNZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-9-11-14(12-10-6-2)13(15-7-3)16-8-4/h13H,5-12H2,1-4H3.
What are the key properties of N-butyl-N-(diethoxymethyl)butan-1-amine?
N-butyl-N-(diethoxymethyl)butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(diethoxymethyl)butan-1-amine is sourced from PubChem (CID 14803554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).