N-(butoxymethyl)-N-ethylethanamine

C9H21NO — CID 12610255

IUPACN-(butoxymethyl)-N-ethylethanamine
SMILESCCCCOCN(CC)CC
InChIInChI=1S/C9H21NO/c1-4-7-8-11-9-10(5-2)6-3/h4-9H2,1-3H3
InChIKeyKDCHKULYGWACNY-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.10
Rot. Bonds7

About N-(butoxymethyl)-N-ethylethanamine

N-(butoxymethyl)-N-ethylethanamine (PubChem CID 12610255) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-(butoxymethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(butoxymethyl)-N-ethylethanamine
PubChem CID12610255
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-(butoxymethyl)-N-ethylethanamine
SMILESCCCCOCN(CC)CC
InChIInChI=1S/C9H21NO/c1-4-7-8-11-9-10(5-2)6-3/h4-9H2,1-3H3
InChIKeyKDCHKULYGWACNY-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(Ethoxymethyl)diethylamine
CID 81812
Bis-butoxymethyl-ethyl-amine
CID 21821969
Ethanamine, N-ethyl-N-[(1-methylethoxy)methyl]-
CID 535576
N,N-bis(ethoxymethyl)ethanamine
CID 15778651
1-Butoxy-N,N-dimethylmethanamine
CID 12860076
2-(Diisopropylaminoethyl)methoxide
CID 21465875
N-diethylaminoethyl ether
CID 21932593
N,N-bis(butoxymethyl)-N-methylamine
CID 22138601
N,N-bis(ethoxymethyl)propan-1-amine
CID 91453246
N,N-dibutyl-4-methoxybutan-1-amine
CID 265279
N,N-Diethyl-4-methoxy-2-butyn-1-amine
CID 4985945
Diethylaminomethyl ethyl ether hydrochloride
CID 129809180

Frequently Asked Questions

What is the IUPAC name of N-(butoxymethyl)-N-ethylethanamine?
The IUPAC name of N-(butoxymethyl)-N-ethylethanamine (CID 12610255) is N-(butoxymethyl)-N-ethylethanamine.
What is the SMILES notation for N-(butoxymethyl)-N-ethylethanamine?
The canonical SMILES for N-(butoxymethyl)-N-ethylethanamine is CCCCOCN(CC)CC.
What is the InChIKey of N-(butoxymethyl)-N-ethylethanamine?
The InChIKey is KDCHKULYGWACNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-7-8-11-9-10(5-2)6-3/h4-9H2,1-3H3.
What are the key properties of N-(butoxymethyl)-N-ethylethanamine?
N-(butoxymethyl)-N-ethylethanamine has a molecular weight of 159.27 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxymethyl)-N-ethylethanamine is sourced from PubChem (CID 12610255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).