4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol

C15H29NO — CID 167016609

IUPAC4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol
SMILESCC1CC2(C1)CC(NC(CO)CC(C)(C)C)C2
InChIInChI=1S/C15H29NO/c1-11-5-15(6-11)8-12(9-15)16-13(10-17)7-14(2,3)4/h11-13,16-17H,5-10H2,1-4H3
InChIKeyIYYJNQMOHHRECW-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.95
Rot. Bonds4

About 4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol

4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol (PubChem CID 167016609) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol
PubChem CID167016609
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol
SMILESCC1CC2(C1)CC(NC(CO)CC(C)(C)C)C2
InChIInChI=1S/C15H29NO/c1-11-5-15(6-11)8-12(9-15)16-13(10-17)7-14(2,3)4/h11-13,16-17H,5-10H2,1-4H3
InChIKeyIYYJNQMOHHRECW-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol (CID 167016609) is 4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol is CC1CC2(C1)CC(NC(CO)CC(C)(C)C)C2.
What is the InChIKey of 4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol?
The InChIKey is IYYJNQMOHHRECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-5-15(6-11)8-12(9-15)16-13(10-17)7-14(2,3)4/h11-13,16-17H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol?
4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(6-methylspiro[3.3]heptan-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 167016609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).