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

C15H30N2O — CID 163242997

IUPAC4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol
SMILESCNC1CC2(C1)CC(NC(CO)CC(C)(C)C)C2
InChIInChI=1S/C15H30N2O/c1-14(2,3)5-13(10-18)17-12-8-15(9-12)6-11(7-15)16-4/h11-13,16-18H,5-10H2,1-4H3
InChIKeyDYJXYXAARKKLCS-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.90
Rot. Bonds5

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

4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol (PubChem CID 163242997) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol
PubChem CID163242997
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol
SMILESCNC1CC2(C1)CC(NC(CO)CC(C)(C)C)C2
InChIInChI=1S/C15H30N2O/c1-14(2,3)5-13(10-18)17-12-8-15(9-12)6-11(7-15)16-4/h11-13,16-18H,5-10H2,1-4H3
InChIKeyDYJXYXAARKKLCS-UHFFFAOYSA-N
XLogP1.90
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol (CID 163242997) is 4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol is CNC1CC2(C1)CC(NC(CO)CC(C)(C)C)C2.
What is the InChIKey of 4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol?
The InChIKey is DYJXYXAARKKLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)5-13(10-18)17-12-8-15(9-12)6-11(7-15)16-4/h11-13,16-18H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol?
4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 163242997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).