3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine

C14H29NO2 — CID 103074781

IUPAC3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)COC1CCCC(OC)C1
InChIInChI=1S/C14H29NO2/c1-4-8-15-10-12(2)11-17-14-7-5-6-13(9-14)16-3/h12-15H,4-11H2,1-3H3
InChIKeyMEPQPEBUXAGFBD-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds8

About 3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine

3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine (PubChem CID 103074781) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine
PubChem CID103074781
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)COC1CCCC(OC)C1
InChIInChI=1S/C14H29NO2/c1-4-8-15-10-12(2)11-17-14-7-5-6-13(9-14)16-3/h12-15H,4-11H2,1-3H3
InChIKeyMEPQPEBUXAGFBD-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine
CID 107506875
2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine
CID 115003113
2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine
CID 103074792
1,3-bis(2-methylpropoxy)cyclohexane
CID 142724775
1-[2-(bromomethyl)butoxy]-3-methoxycyclohexane
CID 65000321
2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 102968134
1-(3-methoxycyclohexyl)oxy-3-methylbutan-2-one
CID 79396046
3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 66351376
1-(chloromethoxy)-3-methoxycyclohexane
CID 79529091
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol
CID 64810980
1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
CID 107506735

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine (CID 103074781) is 3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine is CCCNCC(C)COC1CCCC(OC)C1.
What is the InChIKey of 3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine?
The InChIKey is MEPQPEBUXAGFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-8-15-10-12(2)11-17-14-7-5-6-13(9-14)16-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine?
3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 103074781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).