N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine

C14H28N2O2 — CID 63707990

IUPACN-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(CN(C)CC2CCCOC2)O1
InChIInChI=1S/C14H28N2O2/c1-15-8-13-5-6-14(18-13)10-16(2)9-12-4-3-7-17-11-12/h12-15H,3-11H2,1-2H3
InChIKeyRTUXAVYHAQHLGA-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.11
Rot. Bonds6

About N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine

N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine (PubChem CID 63707990) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
PubChem CID63707990
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(CN(C)CC2CCCOC2)O1
InChIInChI=1S/C14H28N2O2/c1-15-8-13-5-6-14(18-13)10-16(2)9-12-4-3-7-17-11-12/h12-15H,3-11H2,1-2H3
InChIKeyRTUXAVYHAQHLGA-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine
CID 62419753
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62427288
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(oxan-3-yl)methanamine
CID 55226831

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine (CID 63707990) is N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine is CNCC1CCC(CN(C)CC2CCCOC2)O1.
What is the InChIKey of N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine?
The InChIKey is RTUXAVYHAQHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-15-8-13-5-6-14(18-13)10-16(2)9-12-4-3-7-17-11-12/h12-15H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine?
N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine has a molecular weight of 256.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 63707990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).