2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol

C15H29NO — CID 65338115

IUPAC2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol
SMILESCC(NC1C2(C)CCC(C2)C1(C)C)C(C)(C)O
InChIInChI=1S/C15H29NO/c1-10(14(4,5)17)16-12-13(2,3)11-7-8-15(12,6)9-11/h10-12,16-17H,7-9H2,1-6H3
InChIKeyVJDQSBUKBAZBJD-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.95
Rot. Bonds3

About 2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol

2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol (PubChem CID 65338115) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol
PubChem CID65338115
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol
SMILESCC(NC1C2(C)CCC(C2)C1(C)C)C(C)(C)O
InChIInChI=1S/C15H29NO/c1-10(14(4,5)17)16-12-13(2,3)11-7-8-15(12,6)9-11/h10-12,16-17H,7-9H2,1-6H3
InChIKeyVJDQSBUKBAZBJD-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol (CID 65338115) is 2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol is CC(NC1C2(C)CCC(C2)C1(C)C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol?
The InChIKey is VJDQSBUKBAZBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-10(14(4,5)17)16-12-13(2,3)11-7-8-15(12,6)9-11/h10-12,16-17H,7-9H2,1-6H3.
What are the key properties of 2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol?
2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol has a molecular weight of 239.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol is sourced from PubChem (CID 65338115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).