3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine

C15H29NO — CID 90809587

IUPAC3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine
SMILESCCC1=CC(C)C(OCCCNC(C)C)CC1
InChIInChI=1S/C15H29NO/c1-5-14-7-8-15(13(4)11-14)17-10-6-9-16-12(2)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyUOJJOMDYOPEKRB-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds7

About 3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine

3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine (PubChem CID 90809587) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine
PubChem CID90809587
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine
SMILESCCC1=CC(C)C(OCCCNC(C)C)CC1
InChIInChI=1S/C15H29NO/c1-5-14-7-8-15(13(4)11-14)17-10-6-9-16-12(2)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyUOJJOMDYOPEKRB-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R,6R)-3-ethyl-N,6-dimethyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 118097478
N-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 64097553
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 64100544
N-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxan-4-amine
CID 64100545
N-[2-(cyclohexen-1-yl)ethyl]-2-methyloxan-4-amine
CID 64100546
N-(cyclohex-3-en-1-ylmethyl)-2-propyloxan-4-amine
CID 64102069
N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxan-4-amine
CID 64102472
N-cyclohex-3-en-1-yl-2-propan-2-yloxan-4-amine
CID 65702103
4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 79599390
N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79757908
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760372
N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79760373

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine (CID 90809587) is 3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine is CCC1=CC(C)C(OCCCNC(C)C)CC1.
What is the InChIKey of 3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine?
The InChIKey is UOJJOMDYOPEKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-14-7-8-15(13(4)11-14)17-10-6-9-16-12(2)3/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine?
3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 90809587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).