2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol

C12H28N2O — CID 64798812

IUPAC2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol
SMILESCCCCN(CC)C(C)CC(C)(N)CO
InChIInChI=1S/C12H28N2O/c1-5-7-8-14(6-2)11(3)9-12(4,13)10-15/h11,15H,5-10,13H2,1-4H3
InChIKeyQGSYLNQHDLADKD-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.60
Rot. Bonds8

About 2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol

2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol (PubChem CID 64798812) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol
PubChem CID64798812
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol
SMILESCCCCN(CC)C(C)CC(C)(N)CO
InChIInChI=1S/C12H28N2O/c1-5-7-8-14(6-2)11(3)9-12(4,13)10-15/h11,15H,5-10,13H2,1-4H3
InChIKeyQGSYLNQHDLADKD-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798809
2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827745
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64698958
2-amino-2-methyl-4-[methyl(propan-2-yl)amino]pentan-1-ol
CID 64796081
methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64727339
2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile
CID 102996417
4-[ethyl(propyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798523
3-amino-2-[butyl(ethyl)amino]propan-1-ol
CID 104710797
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64698955
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
[butyl(ethyl)amino]-(2-methylbutan-2-yloxy)methanol
CID 144560353
methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
CID 64727139

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol (CID 64798812) is 2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol is CCCCN(CC)C(C)CC(C)(N)CO.
What is the InChIKey of 2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol?
The InChIKey is QGSYLNQHDLADKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-7-8-14(6-2)11(3)9-12(4,13)10-15/h11,15H,5-10,13H2,1-4H3.
What are the key properties of 2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol?
2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 64798812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).