3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine

C14H29NO2 — CID 103487466

IUPAC3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(OC(C)COCC)C1
InChIInChI=1S/C14H29NO2/c1-4-9-15-13-7-6-8-14(10-13)17-12(3)11-16-5-2/h12-15H,4-11H2,1-3H3
InChIKeyODKAUAHQTLLVNE-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds8

About 3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine

3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine (PubChem CID 103487466) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine
PubChem CID103487466
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(OC(C)COCC)C1
InChIInChI=1S/C14H29NO2/c1-4-9-15-13-7-6-8-14(10-13)17-12(3)11-16-5-2/h12-15H,4-11H2,1-3H3
InChIKeyODKAUAHQTLLVNE-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethoxypropan-2-yloxy)cyclohexan-1-amine
CID 103487552
3-cyclobutyloxy-N-propylcyclopentan-1-amine
CID 79632240
3-(1-methoxypropan-2-yloxy)-N-methylcyclohexan-1-amine
CID 79618809
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79617939
3-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65178231
1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane
CID 103491309
N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine
CID 115002291
1-N-(1-methoxypropan-2-yl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79617934
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
3-(2-ethoxyethoxy)-N-propylcyclobutan-1-amine
CID 66359394
1-ethoxypropan-2-yl 2-(cyclopentylamino)acetate
CID 103489239
azane;N-propylcyclohexanamine
CID 19368218

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine (CID 103487466) is 3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine is CCCNC1CCCC(OC(C)COCC)C1.
What is the InChIKey of 3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine?
The InChIKey is ODKAUAHQTLLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-9-15-13-7-6-8-14(10-13)17-12(3)11-16-5-2/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine?
3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yloxy)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 103487466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).