1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol

C15H32N2O — CID 79855042

IUPAC1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC1CCC(C)(C)C1NC)CC(C)(C)O
InChIInChI=1S/C15H32N2O/c1-7-17(11-15(4,5)18)10-12-8-9-14(2,3)13(12)16-6/h12-13,16,18H,7-11H2,1-6H3
InChIKeyFZAWAUWFQRNLOF-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.10
Rot. Bonds6

About 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol

1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79855042) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79855042
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC1CCC(C)(C)C1NC)CC(C)(C)O
InChIInChI=1S/C15H32N2O/c1-7-17(11-15(4,5)18)10-12-8-9-14(2,3)13(12)16-6/h12-13,16,18H,7-11H2,1-6H3
InChIKeyFZAWAUWFQRNLOF-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol (CID 79855042) is 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol is CCN(CC1CCC(C)(C)C1NC)CC(C)(C)O.
What is the InChIKey of 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is FZAWAUWFQRNLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-17(11-15(4,5)18)10-12-8-9-14(2,3)13(12)16-6/h12-13,16,18H,7-11H2,1-6H3.
What are the key properties of 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol?
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 256.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79855042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).