2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol

C11H25NO — CID 114997755

IUPAC2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol
SMILESCCC(O)(CNCC(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-6-11(13,10(4)5)8-12-7-9(2)3/h9-10,12-13H,6-8H2,1-5H3
InChIKeyYXYCAFFBWJIPFX-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.03
Rot. Bonds6

About 2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol

2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol (PubChem CID 114997755) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol
PubChem CID114997755
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol
SMILESCCC(O)(CNCC(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-6-11(13,10(4)5)8-12-7-9(2)3/h9-10,12-13H,6-8H2,1-5H3
InChIKeyYXYCAFFBWJIPFX-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Methylamino)methyl]pentan-3-ol
CID 15892887
3-(Propan-2-yl)pyrrolidin-3-ol hydrochloride
CID 57497866
N-ethyldiisopropylethanolamine
CID 129821955
4-Isopropylpiperidin-4-ol
CID 57416290
3-(Propan-2-yl)pyrrolidin-3-ol
CID 57497867
3-Ethyl-2-methyl-1-(methylamino)-3-pentanol
CID 129785991
3-[(3,3,3-Trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
3-[(2,2-Difluoroethylamino)methyl]pentan-3-ol
CID 65111387
3-[(2-Fluoroethylamino)methyl]pentan-3-ol
CID 80694204
1-(2-Fluoroethylamino)-2,4-dimethylpentan-2-ol
CID 80694211
1-(3-Fluoropropylamino)-2,4-dimethylpentan-2-ol
CID 81105415
3-[(3-Fluoropropylamino)methyl]pentan-3-ol
CID 81107321

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol?
The IUPAC name of 2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol (CID 114997755) is 2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol.
What is the SMILES notation for 2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol?
The canonical SMILES for 2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol is CCC(O)(CNCC(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol?
The InChIKey is YXYCAFFBWJIPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-11(13,10(4)5)8-12-7-9(2)3/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol?
2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol has a molecular weight of 187.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol is sourced from PubChem (CID 114997755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).