3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine

C16H31NO2 — CID 64744544

IUPAC3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H31NO2/c1-4-8-17-15-7-9-18-11-16(15)19-14-6-5-12(2)13(3)10-14/h12-17H,4-11H2,1-3H3
InChIKeyBSCZGFBRZNGZTR-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.98
Rot. Bonds5

About 3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine

3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine (PubChem CID 64744544) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine
PubChem CID64744544
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H31NO2/c1-4-8-17-15-7-9-18-11-16(15)19-14-6-5-12(2)13(3)10-14/h12-17H,4-11H2,1-3H3
InChIKeyBSCZGFBRZNGZTR-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-propoxyethoxy)-N-propyloxan-4-amine
CID 55234053
3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114019019
3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine
CID 66232235
3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943605
3-hexyl-N-propyloxan-4-amine
CID 106469429
3-(oxan-4-yloxy)-N-propylcyclobutan-1-amine
CID 66349797
3-(oxetan-3-yloxy)-N-propylcyclopentan-1-amine
CID 102605830
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 64746326
N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane
CID 90160887
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352596
3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
CID 106469455

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine (CID 64744544) is 3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine is CCCNC1CCOCC1OC1CCC(C)C(C)C1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine?
The InChIKey is BSCZGFBRZNGZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-8-17-15-7-9-18-11-16(15)19-14-6-5-12(2)13(3)10-14/h12-17H,4-11H2,1-3H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine?
3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine has a molecular weight of 269.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine is sourced from PubChem (CID 64744544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).