3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol

C13H29NO — CID 115895943

IUPAC3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol
SMILESCCC(C)(CNC(C)C(C)(C)C)C(C)O
InChIInChI=1S/C13H29NO/c1-8-13(7,11(3)15)9-14-10(2)12(4,5)6/h10-11,14-15H,8-9H2,1-7H3
InChIKeyBYWXOYVEDJQPOP-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.81
Rot. Bonds5

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

3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol (PubChem CID 115895943) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol.

Molecular Properties

Compound Name3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol
PubChem CID115895943
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol
SMILESCCC(C)(CNC(C)C(C)(C)C)C(C)O
InChIInChI=1S/C13H29NO/c1-8-13(7,11(3)15)9-14-10(2)12(4,5)6/h10-11,14-15H,8-9H2,1-7H3
InChIKeyBYWXOYVEDJQPOP-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
CID 115906569
3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol
CID 115895940
3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol
CID 115895973
1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
CID 115720483
2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol
CID 115895182
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-3,3-dimethylbutan-2-amine
CID 115647758
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine
CID 88581583
2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
CID 158901240

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol?
The IUPAC name of 3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol (CID 115895943) is 3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol.
What is the SMILES notation for 3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol?
The canonical SMILES for 3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol is CCC(C)(CNC(C)C(C)(C)C)C(C)O.
What is the InChIKey of 3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol?
The InChIKey is BYWXOYVEDJQPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-8-13(7,11(3)15)9-14-10(2)12(4,5)6/h10-11,14-15H,8-9H2,1-7H3.
What are the key properties of 3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol?
3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol has a molecular weight of 215.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol is sourced from PubChem (CID 115895943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).