2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol

C16H31NO — CID 134204342

IUPAC2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol
SMILESCC1CC2CCC(NCCCC(C)(C)O)C(C1)C2
InChIInChI=1S/C16H31NO/c1-12-9-13-5-6-15(14(10-12)11-13)17-8-4-7-16(2,3)18/h12-15,17-18H,4-11H2,1-3H3
InChIKeyYKAWDCLZFBCIML-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.34
Rot. Bonds5

About 2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol

2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol (PubChem CID 134204342) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol
PubChem CID134204342
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol
SMILESCC1CC2CCC(NCCCC(C)(C)O)C(C1)C2
InChIInChI=1S/C16H31NO/c1-12-9-13-5-6-15(14(10-12)11-13)17-8-4-7-16(2,3)18/h12-15,17-18H,4-11H2,1-3H3
InChIKeyYKAWDCLZFBCIML-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol?
The IUPAC name of 2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol (CID 134204342) is 2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol?
The canonical SMILES for 2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol is CC1CC2CCC(NCCCC(C)(C)O)C(C1)C2.
What is the InChIKey of 2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol?
The InChIKey is YKAWDCLZFBCIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-9-13-5-6-15(14(10-12)11-13)17-8-4-7-16(2,3)18/h12-15,17-18H,4-11H2,1-3H3.
What are the key properties of 2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol?
2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol has a molecular weight of 253.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(7-methyl-2-bicyclo[3.3.1]nonanyl)amino]pentan-2-ol is sourced from PubChem (CID 134204342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).