3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol

C12H25F3N2O — CID 63899623

IUPAC3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCN(CC)CCCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-4-17(5-2)8-6-7-10(3)16-9-11(18)12(13,14)15/h10-11,16,18H,4-9H2,1-3H3
InChIKeySMVZWOXBMVIFQW-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds9

About 3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol

3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899623) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63899623
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCN(CC)CCCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-4-17(5-2)8-6-7-10(3)16-9-11(18)12(13,14)15/h10-11,16,18H,4-9H2,1-3H3
InChIKeySMVZWOXBMVIFQW-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol
CID 76891494
3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
CID 83176713
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77026334
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 102867785
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099
2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid
CID 64580859
N-tert-butyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179840
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol (CID 63899623) is 3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol is CCN(CC)CCCC(C)NCC(O)C(F)(F)F.
What is the InChIKey of 3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SMVZWOXBMVIFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-4-17(5-2)8-6-7-10(3)16-9-11(18)12(13,14)15/h10-11,16,18H,4-9H2,1-3H3.
What are the key properties of 3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol?
3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 270.34 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).