1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine

C12H25NO — CID 116761985

IUPAC1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine
SMILESCCOC1(C(NC)C(C)C)CCCC1
InChIInChI=1S/C12H25NO/c1-5-14-12(8-6-7-9-12)11(13-4)10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyRRBHXRXJAGFBJE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds5

About 1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine

1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine (PubChem CID 116761985) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine
PubChem CID116761985
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine
SMILESCCOC1(C(NC)C(C)C)CCCC1
InChIInChI=1S/C12H25NO/c1-5-14-12(8-6-7-9-12)11(13-4)10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyRRBHXRXJAGFBJE-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine (CID 116761985) is 1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine is CCOC1(C(NC)C(C)C)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine?
The InChIKey is RRBHXRXJAGFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-14-12(8-6-7-9-12)11(13-4)10(2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine?
1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 116761985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).