4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine

C13H26N2O2 — CID 114240524

IUPAC4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine
SMILESCC1COCCC1(CN)N(C)C1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-11-9-17-8-5-13(11,10-14)15(2)12-3-6-16-7-4-12/h11-12H,3-10,14H2,1-2H3
InChIKeyBZRQSDAIEQWLPY-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds3

About 4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine

4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine (PubChem CID 114240524) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine
PubChem CID114240524
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine
SMILESCC1COCCC1(CN)N(C)C1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-11-9-17-8-5-13(11,10-14)15(2)12-3-6-16-7-4-12/h11-12H,3-10,14H2,1-2H3
InChIKeyBZRQSDAIEQWLPY-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
CID 82717506
N-[1-(aminomethyl)-2-ethylcyclopentyl]-N-methyloxan-4-amine
CID 113483713
3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine
CID 82717798
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine
CID 82734229
N-[1-(aminomethyl)-3-ethylcyclopentyl]-N-methyloxolan-3-amine
CID 82734585
4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
CID 115295354
(4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine
CID 130491521
4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
CID 65079445
[4-(oxolan-3-yl)oxan-4-yl]methanamine
CID 126973588
N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
CID 54942199

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine (CID 114240524) is 4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine is CC1COCCC1(CN)N(C)C1CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine?
The InChIKey is BZRQSDAIEQWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-9-17-8-5-13(11,10-14)15(2)12-3-6-16-7-4-12/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine?
4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine has a molecular weight of 242.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine is sourced from PubChem (CID 114240524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).