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

C12H24N2O2 — CID 66264207

IUPAC4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine
SMILESCN(CC1CCCO1)CC1(C)COCC1N
InChIInChI=1S/C12H24N2O2/c1-12(9-15-7-11(12)13)8-14(2)6-10-4-3-5-16-10/h10-11H,3-9,13H2,1-2H3
InChIKeyBOOAWTXQPPOPRF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.46
Rot. Bonds4

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

4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine (PubChem CID 66264207) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine
PubChem CID66264207
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine
SMILESCN(CC1CCCO1)CC1(C)COCC1N
InChIInChI=1S/C12H24N2O2/c1-12(9-15-7-11(12)13)8-14(2)6-10-4-3-5-16-10/h10-11H,3-9,13H2,1-2H3
InChIKeyBOOAWTXQPPOPRF-UHFFFAOYSA-N
XLogP0.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopropan-1-amine
CID 65458658
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 61435770
N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 66264505
cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 61436218
[1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methanol
CID 62265462
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62257278
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 63044910
[4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol
CID 62391719

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine (CID 66264207) is 4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine is CN(CC1CCCO1)CC1(C)COCC1N.
What is the InChIKey of 4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine?
The InChIKey is BOOAWTXQPPOPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(9-15-7-11(12)13)8-14(2)6-10-4-3-5-16-10/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine?
4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine has a molecular weight of 228.34 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66264207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).