3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol

C13H29NO — CID 115895973

IUPAC3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol
SMILESCCC(C)(CNC(C)CC(C)C)C(C)O
InChIInChI=1S/C13H29NO/c1-7-13(6,12(5)15)9-14-11(4)8-10(2)3/h10-12,14-15H,7-9H2,1-6H3
InChIKeyBWCWVKIHAIBMRP-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.81
Rot. Bonds7

About 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol

3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol (PubChem CID 115895973) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol
PubChem CID115895973
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol
SMILESCCC(C)(CNC(C)CC(C)C)C(C)O
InChIInChI=1S/C13H29NO/c1-7-13(6,12(5)15)9-14-11(4)8-10(2)3/h10-12,14-15H,7-9H2,1-6H3
InChIKeyBWCWVKIHAIBMRP-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol
CID 115895940
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
3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol
CID 65107716
4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol
CID 115721181
4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine
CID 79551975
4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
CID 59085020
tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate
CID 97308748
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-but-2-ynyl-4-methylpentan-2-amine
CID 62310142

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol?
The IUPAC name of 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol (CID 115895973) is 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol.
What is the SMILES notation for 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol?
The canonical SMILES for 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol is CCC(C)(CNC(C)CC(C)C)C(C)O.
What is the InChIKey of 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol?
The InChIKey is BWCWVKIHAIBMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-13(6,12(5)15)9-14-11(4)8-10(2)3/h10-12,14-15H,7-9H2,1-6H3.
What are the key properties of 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol?
3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol has a molecular weight of 215.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol is sourced from PubChem (CID 115895973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).