2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol

C12H27NO — CID 61054540

IUPAC2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol
SMILESCC(C)CCC(C)(CO)NCC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)6-7-12(5,9-14)13-8-11(3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyXNLFXVSOABFRCH-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.42
Rot. Bonds7

About 2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol

2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol (PubChem CID 61054540) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol.

Molecular Properties

Compound Name2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol
PubChem CID61054540
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol
SMILESCC(C)CCC(C)(CO)NCC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)6-7-12(5,9-14)13-8-11(3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyXNLFXVSOABFRCH-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-methylpropylamino)pentan-1-ol
CID 61054736
2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol
CID 97358418
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 64827009
2-methyl-2-(2-methylbutylamino)propane-1,3-diol
CID 75525332
2-(ethylamino)-2-methyl-6-(4-methylpentoxy)hexan-1-ol
CID 64802741
3,3,3-trifluoro-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 106523433
4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol
CID 106841450
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721
3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 114834242
2,5,8-trimethylnonan-5-ol
CID 58574498
3-(3-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 114834241
2-(ethylamino)-2-methyl-5-[2-methylpropyl(propan-2-yl)amino]pentan-1-ol
CID 64828003

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol?
The IUPAC name of 2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol (CID 61054540) is 2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol.
What is the SMILES notation for 2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol?
The canonical SMILES for 2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol is CC(C)CCC(C)(CO)NCC(C)C.
What is the InChIKey of 2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol?
The InChIKey is XNLFXVSOABFRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)6-7-12(5,9-14)13-8-11(3)4/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol?
2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol is sourced from PubChem (CID 61054540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).