2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol

C15H29NO — CID 114817814

IUPAC2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol
SMILESCC(C)(CO)CNC1CCC2(CCCC2)CC1
InChIInChI=1S/C15H29NO/c1-14(2,12-17)11-16-13-5-9-15(10-6-13)7-3-4-8-15/h13,16-17H,3-12H2,1-2H3
InChIKeyCDICZOVNFYJELE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds4

About 2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol

2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol (PubChem CID 114817814) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol
PubChem CID114817814
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol
SMILESCC(C)(CO)CNC1CCC2(CCCC2)CC1
InChIInChI=1S/C15H29NO/c1-14(2,12-17)11-16-13-5-9-15(10-6-13)7-3-4-8-15/h13,16-17H,3-12H2,1-2H3
InChIKeyCDICZOVNFYJELE-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol (CID 114817814) is 2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol is CC(C)(CO)CNC1CCC2(CCCC2)CC1.
What is the InChIKey of 2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol?
The InChIKey is CDICZOVNFYJELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,12-17)11-16-13-5-9-15(10-6-13)7-3-4-8-15/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol?
2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol is sourced from PubChem (CID 114817814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).