2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol

C13H25NO — CID 81411710

IUPAC2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C1CC1)C1CC1
InChIInChI=1S/C13H25NO/c1-3-13(2,9-15)8-14-12(10-4-5-10)11-6-7-11/h10-12,14-15H,3-9H2,1-2H3
InChIKeyMQJADTLKLLZNDT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.17
Rot. Bonds7

About 2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol

2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol (PubChem CID 81411710) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol
PubChem CID81411710
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C1CC1)C1CC1
InChIInChI=1S/C13H25NO/c1-3-13(2,9-15)8-14-12(10-4-5-10)11-6-7-11/h10-12,14-15H,3-9H2,1-2H3
InChIKeyMQJADTLKLLZNDT-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol (CID 81411710) is 2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNC(C1CC1)C1CC1.
What is the InChIKey of 2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol?
The InChIKey is MQJADTLKLLZNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-13(2,9-15)8-14-12(10-4-5-10)11-6-7-11/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol?
2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81411710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).