2-butoxy-N-ethylpropan-1-amine

C9H21NO — CID 62449884

IUPAC2-butoxy-N-ethylpropan-1-amine
SMILESCCCCOC(C)CNCC
InChIInChI=1S/C9H21NO/c1-4-6-7-11-9(3)8-10-5-2/h9-10H,4-8H2,1-3H3
InChIKeyYWZYCOGIYMUCQL-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds7

About 2-butoxy-N-ethylpropan-1-amine

2-butoxy-N-ethylpropan-1-amine (PubChem CID 62449884) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-butoxy-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-butoxy-N-ethylpropan-1-amine
PubChem CID62449884
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-butoxy-N-ethylpropan-1-amine
SMILESCCCCOC(C)CNCC
InChIInChI=1S/C9H21NO/c1-4-6-7-11-9(3)8-10-5-2/h9-10H,4-8H2,1-3H3
InChIKeyYWZYCOGIYMUCQL-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hexoxypropyl)butan-1-amine
CID 62599346
N-(2-propoxypropyl)butan-1-amine
CID 62583755
N-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112590002
2-hexoxy-N-prop-2-ynylpropan-1-amine
CID 62599532
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
2-butoxyhexane;ethane
CID 144590910
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
N-ethyl-2-prop-2-enoxypropan-1-amine
CID 62442088
N-ethyl-2-octoxybutan-1-amine
CID 62456263
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
N-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-ethylpropan-1-amine?
The IUPAC name of 2-butoxy-N-ethylpropan-1-amine (CID 62449884) is 2-butoxy-N-ethylpropan-1-amine.
What is the SMILES notation for 2-butoxy-N-ethylpropan-1-amine?
The canonical SMILES for 2-butoxy-N-ethylpropan-1-amine is CCCCOC(C)CNCC.
What is the InChIKey of 2-butoxy-N-ethylpropan-1-amine?
The InChIKey is YWZYCOGIYMUCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-6-7-11-9(3)8-10-5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-butoxy-N-ethylpropan-1-amine?
2-butoxy-N-ethylpropan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-ethylpropan-1-amine is sourced from PubChem (CID 62449884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).