2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol

C11H23NO — CID 81411755

IUPAC2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol
SMILESCC(C)(CO)CNC1(C)CCCC1
InChIInChI=1S/C11H23NO/c1-10(2,9-13)8-12-11(3)6-4-5-7-11/h12-13H,4-9H2,1-3H3
InChIKeyQMHGQFBNECPDJA-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds4

About 2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol

2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol (PubChem CID 81411755) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol
PubChem CID81411755
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol
SMILESCC(C)(CO)CNC1(C)CCCC1
InChIInChI=1S/C11H23NO/c1-10(2,9-13)8-12-11(3)6-4-5-7-11/h12-13H,4-9H2,1-3H3
InChIKeyQMHGQFBNECPDJA-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
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-[(1-methylcyclopentyl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol (CID 81411755) is 2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol is CC(C)(CO)CNC1(C)CCCC1.
What is the InChIKey of 2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol?
The InChIKey is QMHGQFBNECPDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,9-13)8-12-11(3)6-4-5-7-11/h12-13H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol?
2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 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-[(1-methylcyclopentyl)amino]propan-1-ol is sourced from PubChem (CID 81411755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).