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

C13H27NO2 — CID 70425262

IUPAC1-cyclohexyl-1,1-diethoxypropan-2-amine
SMILESCCOC(OCC)(C(C)N)C1CCCCC1
InChIInChI=1S/C13H27NO2/c1-4-15-13(11(3)14,16-5-2)12-9-7-6-8-10-12/h11-12H,4-10,14H2,1-3H3
InChIKeyVRVQYEBBDQPEHS-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.68
Rot. Bonds6

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

1-cyclohexyl-1,1-diethoxypropan-2-amine (PubChem CID 70425262) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-cyclohexyl-1,1-diethoxypropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1,1-diethoxypropan-2-amine
PubChem CID70425262
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-cyclohexyl-1,1-diethoxypropan-2-amine
SMILESCCOC(OCC)(C(C)N)C1CCCCC1
InChIInChI=1S/C13H27NO2/c1-4-15-13(11(3)14,16-5-2)12-9-7-6-8-10-12/h11-12H,4-10,14H2,1-3H3
InChIKeyVRVQYEBBDQPEHS-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 1-cyclohexyl-1,1-diethoxypropan-2-amine?
The IUPAC name of 1-cyclohexyl-1,1-diethoxypropan-2-amine (CID 70425262) is 1-cyclohexyl-1,1-diethoxypropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1,1-diethoxypropan-2-amine?
The canonical SMILES for 1-cyclohexyl-1,1-diethoxypropan-2-amine is CCOC(OCC)(C(C)N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1,1-diethoxypropan-2-amine?
The InChIKey is VRVQYEBBDQPEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-15-13(11(3)14,16-5-2)12-9-7-6-8-10-12/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-cyclohexyl-1,1-diethoxypropan-2-amine?
1-cyclohexyl-1,1-diethoxypropan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,1-diethoxypropan-2-amine is sourced from PubChem (CID 70425262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).