3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine

C15H32N2O2 — CID 63009367

IUPAC3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCOCCCN(C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C15H32N2O2/c1-14(2)16-12-15(6-10-19-11-7-15)13-17(3)8-5-9-18-4/h14,16H,5-13H2,1-4H3
InChIKeyJKSBKRGGVSDUCM-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds9

About 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine

3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 63009367) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID63009367
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCOCCCN(C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C15H32N2O2/c1-14(2)16-12-15(6-10-19-11-7-15)13-17(3)8-5-9-18-4/h14,16H,5-13H2,1-4H3
InChIKeyJKSBKRGGVSDUCM-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62392512
N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 63007559
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55140311
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392347
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 81074314
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine (CID 63009367) is 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine is COCCCN(C)CC1(CNC(C)C)CCOCC1.
What is the InChIKey of 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is JKSBKRGGVSDUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-14(2)16-12-15(6-10-19-11-7-15)13-17(3)8-5-9-18-4/h14,16H,5-13H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine?
3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 63009367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).