3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine

C14H29NO2 — CID 106469455

IUPAC3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CCC(C)(C)OC
InChIInChI=1S/C14H29NO2/c1-5-9-15-13-7-10-17-11-12(13)6-8-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyIVQKDJQFXIVJDG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds7

About 3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine

3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine (PubChem CID 106469455) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
PubChem CID106469455
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CCC(C)(C)OC
InChIInChI=1S/C14H29NO2/c1-5-9-15-13-7-10-17-11-12(13)6-8-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyIVQKDJQFXIVJDG-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

3-hexyl-N-propyloxan-4-amine
CID 106469429
3-(3-methoxy-3-methylbutyl)oxan-4-ol
CID 106471274
3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine
CID 66232235
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine
CID 103060604
3-(furan-3-ylmethyl)-N-propyloxan-4-amine
CID 106469611
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
2-cyclopropyl-N-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103581014
N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
CID 106469345
3-(2-propoxyethoxy)-N-propyloxan-4-amine
CID 55234053
3-[2-(2-nitrophenyl)ethyl]-N-propyloxan-4-amine
CID 106469499

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine?
The IUPAC name of 3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine (CID 106469455) is 3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine?
The canonical SMILES for 3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine is CCCNC1CCOCC1CCC(C)(C)OC.
What is the InChIKey of 3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine?
The InChIKey is IVQKDJQFXIVJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-9-15-13-7-10-17-11-12(13)6-8-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine?
3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine is sourced from PubChem (CID 106469455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).