N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine

C12H26N2O — CID 63740832

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CC1(CN)CCCOC1
InChIInChI=1S/C12H26N2O/c1-11(2)7-14(3)9-12(8-13)5-4-6-15-10-12/h11H,4-10,13H2,1-3H3
InChIKeyVXKOYTSUBZBGLO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds5

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine (PubChem CID 63740832) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
PubChem CID63740832
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CC1(CN)CCCOC1
InChIInChI=1S/C12H26N2O/c1-11(2)7-14(3)9-12(8-13)5-4-6-15-10-12/h11H,4-10,13H2,1-3H3
InChIKeyVXKOYTSUBZBGLO-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N,2-dimethylpropan-1-amine
CID 115448846
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112664669
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63742117
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-propylpropan-1-amine
CID 63740110
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55241855
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79489290
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 63741378
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79313345
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 63741894
2-[3-(2-methylpropyl)oxan-3-yl]ethanamine
CID 83817501
[3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine
CID 63741416

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine (CID 63740832) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)CC1(CN)CCCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is VXKOYTSUBZBGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)7-14(3)9-12(8-13)5-4-6-15-10-12/h11H,4-10,13H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 63740832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).