3-[butan-2-yl(ethyl)amino]propan-1-ol

C9H21NO — CID 43509660

IUPAC3-[butan-2-yl(ethyl)amino]propan-1-ol
SMILESCCC(C)N(CC)CCCO
InChIInChI=1S/C9H21NO/c1-4-9(3)10(5-2)7-6-8-11/h9,11H,4-8H2,1-3H3
InChIKeyWNJIEMZHRPTAMY-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds6

About 3-[butan-2-yl(ethyl)amino]propan-1-ol

3-[butan-2-yl(ethyl)amino]propan-1-ol (PubChem CID 43509660) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-[butan-2-yl(ethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[butan-2-yl(ethyl)amino]propan-1-ol
PubChem CID43509660
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-[butan-2-yl(ethyl)amino]propan-1-ol
SMILESCCC(C)N(CC)CCCO
InChIInChI=1S/C9H21NO/c1-4-9(3)10(5-2)7-6-8-11/h9,11H,4-8H2,1-3H3
InChIKeyWNJIEMZHRPTAMY-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(heptan-3-yl)amino]propan-1-ol
CID 88539912
3-[ethyl(nonan-5-yl)amino]propan-1-ol
CID 88539707
1-[ethyl(3-hydroxypropyl)amino]butan-1-ol
CID 90465206
N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 178016372
N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide
CID 115869014
4-(diethylamino)pentan-1-ol
CID 87480053
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 62420127
3-[butan-2-yl(ethyl)amino]propanethioamide
CID 43274551
1-amino-4-[butan-2-yl(ethyl)amino]butan-2-ol
CID 64821778
4-[ethyl(nonan-5-yl)amino]butan-1-ol
CID 88539737
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(ethyl)amino]propan-1-ol?
The IUPAC name of 3-[butan-2-yl(ethyl)amino]propan-1-ol (CID 43509660) is 3-[butan-2-yl(ethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[butan-2-yl(ethyl)amino]propan-1-ol?
The canonical SMILES for 3-[butan-2-yl(ethyl)amino]propan-1-ol is CCC(C)N(CC)CCCO.
What is the InChIKey of 3-[butan-2-yl(ethyl)amino]propan-1-ol?
The InChIKey is WNJIEMZHRPTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-9(3)10(5-2)7-6-8-11/h9,11H,4-8H2,1-3H3.
What are the key properties of 3-[butan-2-yl(ethyl)amino]propan-1-ol?
3-[butan-2-yl(ethyl)amino]propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(ethyl)amino]propan-1-ol is sourced from PubChem (CID 43509660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).