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

C9H22N2O — CID 104710797

IUPAC3-amino-2-[butyl(ethyl)amino]propan-1-ol
SMILESCCCCN(CC)C(CN)CO
InChIInChI=1S/C9H22N2O/c1-3-5-6-11(4-2)9(7-10)8-12/h9,12H,3-8,10H2,1-2H3
InChIKeyBXCZTIYVNMJEEE-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.43
Rot. Bonds7

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

3-amino-2-[butyl(ethyl)amino]propan-1-ol (PubChem CID 104710797) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-amino-2-[butyl(ethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[butyl(ethyl)amino]propan-1-ol
PubChem CID104710797
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-amino-2-[butyl(ethyl)amino]propan-1-ol
SMILESCCCCN(CC)C(CN)CO
InChIInChI=1S/C9H22N2O/c1-3-5-6-11(4-2)9(7-10)8-12/h9,12H,3-8,10H2,1-2H3
InChIKeyBXCZTIYVNMJEEE-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43125906
3-[ethyl(nonan-5-yl)amino]propan-1-ol
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CID 66430497
4-[ethyl(nonan-5-yl)amino]butan-1-ol
CID 88539737
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol
CID 104710820
3-[ethyl(pentyl)amino]pentan-1-ol
CID 168878790
3-[ethyl(heptan-3-yl)amino]propan-1-ol
CID 88539912
2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
CID 64818690
2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol
CID 64798812

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[butyl(ethyl)amino]propan-1-ol?
The IUPAC name of 3-amino-2-[butyl(ethyl)amino]propan-1-ol (CID 104710797) is 3-amino-2-[butyl(ethyl)amino]propan-1-ol.
What is the SMILES notation for 3-amino-2-[butyl(ethyl)amino]propan-1-ol?
The canonical SMILES for 3-amino-2-[butyl(ethyl)amino]propan-1-ol is CCCCN(CC)C(CN)CO.
What is the InChIKey of 3-amino-2-[butyl(ethyl)amino]propan-1-ol?
The InChIKey is BXCZTIYVNMJEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-3-5-6-11(4-2)9(7-10)8-12/h9,12H,3-8,10H2,1-2H3.
What are the key properties of 3-amino-2-[butyl(ethyl)amino]propan-1-ol?
3-amino-2-[butyl(ethyl)amino]propan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[butyl(ethyl)amino]propan-1-ol is sourced from PubChem (CID 104710797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).