3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine

C14H27NO3 — CID 146639847

IUPAC3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine
SMILESCCCC1CCCCC1CONC1OC1OCC
InChIInChI=1S/C14H27NO3/c1-3-7-11-8-5-6-9-12(11)10-17-15-13-14(18-13)16-4-2/h11-15H,3-10H2,1-2H3
InChIKeyJOVRXCAFXATBRW-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.83
Rot. Bonds8

About 3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine

3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine (PubChem CID 146639847) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine
PubChem CID146639847
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine
SMILESCCCC1CCCCC1CONC1OC1OCC
InChIInChI=1S/C14H27NO3/c1-3-7-11-8-5-6-9-12(11)10-17-15-13-14(18-13)16-4-2/h11-15H,3-10H2,1-2H3
InChIKeyJOVRXCAFXATBRW-UHFFFAOYSA-N
XLogP2.83
TPSA43.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
trans-(1S,2R)-1-ethoxy-2-propylcyclohexane
CID 94034878
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
N-ethoxy-2-(methylaminooxymethyl)cyclohexan-1-amine
CID 22090855
1-(3-methoxypropyl)-2-propylcyclohexane
CID 134612935
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
(2R,3S)-2,3-diethoxyoxirane
CID 10701862
3,4-diethoxydioxetane
CID 59986645
N-[(2-propylcycloheptyl)methyl]cyclopropanamine
CID 81026279
N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine
CID 125469957

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine?
The IUPAC name of 3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine (CID 146639847) is 3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine.
What is the SMILES notation for 3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine?
The canonical SMILES for 3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine is CCCC1CCCCC1CONC1OC1OCC.
What is the InChIKey of 3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine?
The InChIKey is JOVRXCAFXATBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-7-11-8-5-6-9-12(11)10-17-15-13-14(18-13)16-4-2/h11-15H,3-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine?
3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine has a molecular weight of 257.37 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine is sourced from PubChem (CID 146639847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).