N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine

C14H27NO2 — CID 3614344

IUPACN-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine
SMILESCCCCN(CCCC)COCC#CCOC
InChIInChI=1S/C14H27NO2/c1-4-6-10-15(11-7-5-2)14-17-13-9-8-12-16-3/h4-7,10-14H2,1-3H3
InChIKeyPAOGLYMKOYXKPL-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.51
Rot. Bonds10

About N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine

N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine (PubChem CID 3614344) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine
PubChem CID3614344
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine
SMILESCCCCN(CCCC)COCC#CCOC
InChIInChI=1S/C14H27NO2/c1-4-6-10-15(11-7-5-2)14-17-13-9-8-12-16-3/h4-7,10-14H2,1-3H3
InChIKeyPAOGLYMKOYXKPL-UHFFFAOYSA-N
XLogP2.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine?
The IUPAC name of N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine (CID 3614344) is N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine is CCCCN(CCCC)COCC#CCOC.
What is the InChIKey of N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine?
The InChIKey is PAOGLYMKOYXKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-6-10-15(11-7-5-2)14-17-13-9-8-12-16-3/h4-7,10-14H2,1-3H3.
What are the key properties of N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine?
N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine is sourced from PubChem (CID 3614344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).