2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol

C15H32N2O2 — CID 104554673

IUPAC2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
SMILESCC(C)CNCC1(CN(C)C(C)CO)CCCOC1
InChIInChI=1S/C15H32N2O2/c1-13(2)8-16-10-15(6-5-7-19-12-15)11-17(4)14(3)9-18/h13-14,16,18H,5-12H2,1-4H3
InChIKeySMAGCPZRYFMYLL-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.34
Rot. Bonds8

About 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol

2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol (PubChem CID 104554673) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
PubChem CID104554673
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
SMILESCC(C)CNCC1(CN(C)C(C)CO)CCCOC1
InChIInChI=1S/C15H32N2O2/c1-13(2)8-16-10-15(6-5-7-19-12-15)11-17(4)14(3)9-18/h13-14,16,18H,5-12H2,1-4H3
InChIKeySMAGCPZRYFMYLL-UHFFFAOYSA-N
XLogP1.34
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol with MolForge

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Related Compounds

N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
CID 55241656
N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63739766
2-methyl-N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63865057
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63741895
2-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 62258789
2-methyl-N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63739960
2-methyl-N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 55243009
N-[[3-(3-ethylsulfanylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 114113336
N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
CID 63699661
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63740667
2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol
CID 104554785
1-[ethyl-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]amino]-2-methylpropan-2-ol
CID 79379260

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol (CID 104554673) is 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol is CC(C)CNCC1(CN(C)C(C)CO)CCCOC1.
What is the InChIKey of 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol?
The InChIKey is SMAGCPZRYFMYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-13(2)8-16-10-15(6-5-7-19-12-15)11-17(4)14(3)9-18/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol?
2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 104554673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).