1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine

C13H27NO — CID 107189868

IUPAC1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)C1CCCC1(C)C
InChIInChI=1S/C13H27NO/c1-5-9-15-10-12(14-4)11-7-6-8-13(11,2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyZCNLFSOOQYOLAL-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About 1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine

1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine (PubChem CID 107189868) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine
PubChem CID107189868
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)C1CCCC1(C)C
InChIInChI=1S/C13H27NO/c1-5-9-15-10-12(14-4)11-7-6-8-13(11,2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyZCNLFSOOQYOLAL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine (CID 107189868) is 1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine is CCCOCC(NC)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine?
The InChIKey is ZCNLFSOOQYOLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-9-15-10-12(14-4)11-7-6-8-13(11,2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine?
1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine is sourced from PubChem (CID 107189868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).