[4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol

C14H27NO3 — CID 62391719

IUPAC[4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol
SMILESCN(CC1CCCCO1)CC1(CO)CCOCC1
InChIInChI=1S/C14H27NO3/c1-15(10-13-4-2-3-7-18-13)11-14(12-16)5-8-17-9-6-14/h13,16H,2-12H2,1H3
InChIKeyYWFOTDTXXCFFAL-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.28
Rot. Bonds5

About [4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol

[4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol (PubChem CID 62391719) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol
PubChem CID62391719
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol
SMILESCN(CC1CCCCO1)CC1(CO)CCOCC1
InChIInChI=1S/C14H27NO3/c1-15(10-13-4-2-3-7-18-13)11-14(12-16)5-8-17-9-6-14/h13,16H,2-12H2,1H3
InChIKeyYWFOTDTXXCFFAL-UHFFFAOYSA-N
XLogP1.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methanol
CID 62265462
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62257278
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-(oxan-2-yl)methanamine
CID 62256760
1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 61436218
[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol
CID 115247051
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopropan-1-amine
CID 65458658
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 61435770
[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63747612
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 83073468
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316

Frequently Asked Questions

What is the IUPAC name of [4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol (CID 62391719) is [4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol is CN(CC1CCCCO1)CC1(CO)CCOCC1.
What is the InChIKey of [4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is YWFOTDTXXCFFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-15(10-13-4-2-3-7-18-13)11-14(12-16)5-8-17-9-6-14/h13,16H,2-12H2,1H3.
What are the key properties of [4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol?
[4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 257.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 62391719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).