2-[butyl(2-methylpentyl)amino]ethanol

C12H27NO — CID 62266090

IUPAC2-[butyl(2-methylpentyl)amino]ethanol
SMILESCCCCN(CCO)CC(C)CCC
InChIInChI=1S/C12H27NO/c1-4-6-8-13(9-10-14)11-12(3)7-5-2/h12,14H,4-11H2,1-3H3
InChIKeyJTRRURWUYDFDAW-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.52
Rot. Bonds9

About 2-[butyl(2-methylpentyl)amino]ethanol

2-[butyl(2-methylpentyl)amino]ethanol (PubChem CID 62266090) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-[butyl(2-methylpentyl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl(2-methylpentyl)amino]ethanol
PubChem CID62266090
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-[butyl(2-methylpentyl)amino]ethanol
SMILESCCCCN(CCO)CC(C)CCC
InChIInChI=1S/C12H27NO/c1-4-6-8-13(9-10-14)11-12(3)7-5-2/h12,14H,4-11H2,1-3H3
InChIKeyJTRRURWUYDFDAW-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
CID 143083923
5-(dibutylamino)-3-methylpentan-1-ol
CID 12040637
3-amino-4-(dibutylamino)butan-1-ol
CID 64900069
6-[[(2R)-6-(2-hexyldecanoyloxy)-2-methylhexyl]-(2-hydroxyethyl)amino]hexyl 2-hexyldecanoate
CID 177206570
N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62923464
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
4-(dibutylamino)-2-methylbutan-1-ol
CID 87479894
2-[butyl(2-hydroxyethyl)amino]-N-pentan-2-ylacetamide
CID 60689454
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
CID 139686343

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-methylpentyl)amino]ethanol?
The IUPAC name of 2-[butyl(2-methylpentyl)amino]ethanol (CID 62266090) is 2-[butyl(2-methylpentyl)amino]ethanol.
What is the SMILES notation for 2-[butyl(2-methylpentyl)amino]ethanol?
The canonical SMILES for 2-[butyl(2-methylpentyl)amino]ethanol is CCCCN(CCO)CC(C)CCC.
What is the InChIKey of 2-[butyl(2-methylpentyl)amino]ethanol?
The InChIKey is JTRRURWUYDFDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-6-8-13(9-10-14)11-12(3)7-5-2/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-[butyl(2-methylpentyl)amino]ethanol?
2-[butyl(2-methylpentyl)amino]ethanol has a molecular weight of 201.35 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-methylpentyl)amino]ethanol is sourced from PubChem (CID 62266090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).