2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol

C17H33NO — CID 114817743

IUPAC2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCC2(CCCC2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)12-16(3,19)13-18-15-6-10-17(11-7-15)8-4-5-9-17/h14-15,18-19H,4-13H2,1-3H3
InChIKeyVJZUZKWZKPUFSJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.88
Rot. Bonds5

About 2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol

2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol (PubChem CID 114817743) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol
PubChem CID114817743
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCC2(CCCC2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)12-16(3,19)13-18-15-6-10-17(11-7-15)8-4-5-9-17/h14-15,18-19H,4-13H2,1-3H3
InChIKeyVJZUZKWZKPUFSJ-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol (CID 114817743) is 2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol is CC(C)CC(C)(O)CNC1CCC2(CCCC2)CC1.
What is the InChIKey of 2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol?
The InChIKey is VJZUZKWZKPUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)12-16(3,19)13-18-15-6-10-17(11-7-15)8-4-5-9-17/h14-15,18-19H,4-13H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol?
2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol has a molecular weight of 267.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol is sourced from PubChem (CID 114817743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).