3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol

C12H27NO — CID 106348997

IUPAC3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CNC(CCO)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2,3)9-13-10(7-8-14)12(4,5)6/h10,13-14H,7-9H2,1-6H3
InChIKeyNPOCXCMCDHQCHO-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.42
Rot. Bonds4

About 3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol

3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106348997) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
PubChem CID106348997
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CNC(CCO)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2,3)9-13-10(7-8-14)12(4,5)6/h10,13-14H,7-9H2,1-6H3
InChIKeyNPOCXCMCDHQCHO-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349643
3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349684
3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349560
4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
CID 104627986
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470442
3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol
CID 114176879
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349624
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
(E)-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]but-2-enoic acid
CID 106351023
4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
CID 113434724
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol (CID 106348997) is 3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol is CC(C)(C)CNC(CCO)C(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is NPOCXCMCDHQCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(2,3)9-13-10(7-8-14)12(4,5)6/h10,13-14H,7-9H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol?
3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106348997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).