3-cyclohexyl-2,2-diethoxypropan-1-amine

C13H27NO2 — CID 57150828

IUPAC3-cyclohexyl-2,2-diethoxypropan-1-amine
SMILESCCOC(CN)(CC1CCCCC1)OCC
InChIInChI=1S/C13H27NO2/c1-3-15-13(11-14,16-4-2)10-12-8-6-5-7-9-12/h12H,3-11,14H2,1-2H3
InChIKeyIIUIWXHXZWJSDW-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.68
Rot. Bonds7

About 3-cyclohexyl-2,2-diethoxypropan-1-amine

3-cyclohexyl-2,2-diethoxypropan-1-amine (PubChem CID 57150828) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-cyclohexyl-2,2-diethoxypropan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-2,2-diethoxypropan-1-amine
PubChem CID57150828
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-cyclohexyl-2,2-diethoxypropan-1-amine
SMILESCCOC(CN)(CC1CCCCC1)OCC
InChIInChI=1S/C13H27NO2/c1-3-15-13(11-14,16-4-2)10-12-8-6-5-7-9-12/h12H,3-11,14H2,1-2H3
InChIKeyIIUIWXHXZWJSDW-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,2-diethoxypropan-1-amine?
The IUPAC name of 3-cyclohexyl-2,2-diethoxypropan-1-amine (CID 57150828) is 3-cyclohexyl-2,2-diethoxypropan-1-amine.
What is the SMILES notation for 3-cyclohexyl-2,2-diethoxypropan-1-amine?
The canonical SMILES for 3-cyclohexyl-2,2-diethoxypropan-1-amine is CCOC(CN)(CC1CCCCC1)OCC.
What is the InChIKey of 3-cyclohexyl-2,2-diethoxypropan-1-amine?
The InChIKey is IIUIWXHXZWJSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-15-13(11-14,16-4-2)10-12-8-6-5-7-9-12/h12H,3-11,14H2,1-2H3.
What are the key properties of 3-cyclohexyl-2,2-diethoxypropan-1-amine?
3-cyclohexyl-2,2-diethoxypropan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,2-diethoxypropan-1-amine is sourced from PubChem (CID 57150828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).