1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C15H30N2O — CID 81468076

IUPAC1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1CC(NCC2(O)CCC(C)(C)CC2)CN1C
InChIInChI=1S/C15H30N2O/c1-12-9-13(10-17(12)4)16-11-15(18)7-5-14(2,3)6-8-15/h12-13,16,18H,5-11H2,1-4H3
InChIKeyOZTFKBOTVNOPIT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds3

About 1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 81468076) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID81468076
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1CC(NCC2(O)CCC(C)(C)CC2)CN1C
InChIInChI=1S/C15H30N2O/c1-12-9-13(10-17(12)4)16-11-15(18)7-5-14(2,3)6-8-15/h12-13,16,18H,5-11H2,1-4H3
InChIKeyOZTFKBOTVNOPIT-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 81468076) is 1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CC1CC(NCC2(O)CCC(C)(C)CC2)CN1C.
What is the InChIKey of 1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is OZTFKBOTVNOPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-9-13(10-17(12)4)16-11-15(18)7-5-14(2,3)6-8-15/h12-13,16,18H,5-11H2,1-4H3.
What are the key properties of 1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 81468076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).