N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine

C13H26N2O2 — CID 66246167

IUPACN-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine
SMILESCNC1COCC1CN(C)CC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-14-13-10-16-9-11(13)7-15(2)8-12-5-3-4-6-17-12/h11-14H,3-10H2,1-2H3
InChIKeyMQUZCCWNTPVHAP-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.72
Rot. Bonds5

About N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine

N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine (PubChem CID 66246167) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine
PubChem CID66246167
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine
SMILESCNC1COCC1CN(C)CC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-14-13-10-16-9-11(13)7-15(2)8-12-5-3-4-6-17-12/h11-14H,3-10H2,1-2H3
InChIKeyMQUZCCWNTPVHAP-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615673
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
N-methyl-N-(oxan-2-ylmethyl)oxetan-3-amine
CID 130605523
N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62256954
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79122440
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N-methyl-N-(oxan-2-ylmethyl)-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 104870155
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
1-N,2,2,3-tetramethyl-1-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 65267291

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine (CID 66246167) is N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine is CNC1COCC1CN(C)CC1CCCCO1.
What is the InChIKey of N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine?
The InChIKey is MQUZCCWNTPVHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14-13-10-16-9-11(13)7-15(2)8-12-5-3-4-6-17-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine?
N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine has a molecular weight of 242.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66246167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).