3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol

C11H25NO — CID 115895940

IUPAC3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol
SMILESCCC(C)NCC(C)(CC)C(C)O
InChIInChI=1S/C11H25NO/c1-6-9(3)12-8-11(5,7-2)10(4)13/h9-10,12-13H,6-8H2,1-5H3
InChIKeyVAQUMZIJJREBLK-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds6

About 3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol

3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol (PubChem CID 115895940) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol
PubChem CID115895940
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol
SMILESCCC(C)NCC(C)(CC)C(C)O
InChIInChI=1S/C11H25NO/c1-6-9(3)12-8-11(5,7-2)10(4)13/h9-10,12-13H,6-8H2,1-5H3
InChIKeyVAQUMZIJJREBLK-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol
CID 115895973
3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
CID 115906569
3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol
CID 115895943
N-butan-2-yl-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103787204
3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol
CID 115763261
3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol
CID 115763283
3-methyl-3-propylhexan-2-ol
CID 20501676
N-butan-2-yl-3,3-dimethylpentan-1-amine
CID 88992386
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 89197540
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
CID 114492806
(butan-2-ylamino)methanol;ethane
CID 143420847

Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol (CID 115895940) is 3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol is CCC(C)NCC(C)(CC)C(C)O.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol?
The InChIKey is VAQUMZIJJREBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-9(3)12-8-11(5,7-2)10(4)13/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol?
3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol is sourced from PubChem (CID 115895940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).