1-ethoxy-N-propylbutan-2-amine

C9H21NO — CID 62040391

IUPAC1-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CC)COCC
InChIInChI=1S/C9H21NO/c1-4-7-10-9(5-2)8-11-6-3/h9-10H,4-8H2,1-3H3
InChIKeyPKWHWXIFPVFEKY-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds7

About 1-ethoxy-N-propylbutan-2-amine

1-ethoxy-N-propylbutan-2-amine (PubChem CID 62040391) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-ethoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-propylbutan-2-amine
PubChem CID62040391
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CC)COCC
InChIInChI=1S/C9H21NO/c1-4-7-10-9(5-2)8-11-6-3/h9-10H,4-8H2,1-3H3
InChIKeyPKWHWXIFPVFEKY-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

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Related Compounds

1-ethoxy-4-ethyl-N-propylhexan-2-amine
CID 82922255
1-(2-methylpropoxy)-N-propylbutan-2-amine
CID 62041041
1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine
CID 79574875
1-hexoxy-N-propylbutan-2-amine
CID 62039776
1-(1,3-dioxolan-2-yl)-3-ethoxy-N-propylpropan-2-amine
CID 103546950
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
1-N-(2-ethoxyethyl)-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 63696660
1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine
CID 63935309
3-propoxy-2-(propylamino)propan-1-ol
CID 64808128
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
CID 82922348

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-propylbutan-2-amine?
The IUPAC name of 1-ethoxy-N-propylbutan-2-amine (CID 62040391) is 1-ethoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-ethoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-ethoxy-N-propylbutan-2-amine is CCCNC(CC)COCC.
What is the InChIKey of 1-ethoxy-N-propylbutan-2-amine?
The InChIKey is PKWHWXIFPVFEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-7-10-9(5-2)8-11-6-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-N-propylbutan-2-amine?
1-ethoxy-N-propylbutan-2-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 1-ethoxy-N-propylbutan-2-amine is sourced from PubChem (CID 62040391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).