3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine

C16H31NO2 — CID 66351596

IUPAC3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCCC(OC)C2)C1(C)C
InChIInChI=1S/C16H31NO2/c1-5-9-17-14-11-15(16(14,2)3)19-13-8-6-7-12(10-13)18-4/h12-15,17H,5-11H2,1-4H3
InChIKeyLUGKUCSZTRAUJO-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds6

About 3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine

3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 66351596) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID66351596
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCCC(OC)C2)C1(C)C
InChIInChI=1S/C16H31NO2/c1-5-9-17-14-11-15(16(14,2)3)19-13-8-6-7-12(10-13)18-4/h12-15,17H,5-11H2,1-4H3
InChIKeyLUGKUCSZTRAUJO-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 66351596) is 3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(OC2CCCC(OC)C2)C1(C)C.
What is the InChIKey of 3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is LUGKUCSZTRAUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-9-17-14-11-15(16(14,2)3)19-13-8-6-7-12(10-13)18-4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66351596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).