4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol

C14H28N2O3 — CID 114953654

IUPAC4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)CC1(CN)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-16(12-14(17)4-8-19-9-5-14)11-13(10-15)2-6-18-7-3-13/h17H,2-12,15H2,1H3
InChIKeyNCVVETKMDVCYMY-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.22
Rot. Bonds5

About 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol

4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol (PubChem CID 114953654) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
PubChem CID114953654
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)CC1(CN)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-16(12-14(17)4-8-19-9-5-14)11-13(10-15)2-6-18-7-3-13/h17H,2-12,15H2,1H3
InChIKeyNCVVETKMDVCYMY-UHFFFAOYSA-N
XLogP0.22
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
CID 114952439
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol
CID 103071417
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316
4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
CID 114953652
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 62392345
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol
CID 114950482

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol (CID 114953654) is 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)CC1(CN)CCOCC1.
What is the InChIKey of 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is NCVVETKMDVCYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-16(12-14(17)4-8-19-9-5-14)11-13(10-15)2-6-18-7-3-13/h17H,2-12,15H2,1H3.
What are the key properties of 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol?
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 272.39 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114953654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).