3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine

C12H20N2O2 — CID 63335610

IUPAC3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine
SMILESCc1occc1CN(C)C1(CN)CCOC1
InChIInChI=1S/C12H20N2O2/c1-10-11(3-5-16-10)7-14(2)12(8-13)4-6-15-9-12/h3,5H,4,6-9,13H2,1-2H3
InChIKeyOLRJUXGBKWCFMT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.14
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine

3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine (PubChem CID 63335610) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine
PubChem CID63335610
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine
SMILESCc1occc1CN(C)C1(CN)CCOC1
InChIInChI=1S/C12H20N2O2/c1-10-11(3-5-16-10)7-14(2)12(8-13)4-6-15-9-12/h3,5H,4,6-9,13H2,1-2H3
InChIKeyOLRJUXGBKWCFMT-UHFFFAOYSA-N
XLogP1.14
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
CID 63335335
1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
CID 63471377
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
CID 63335444
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245
3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
CID 63335498
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine
CID 65079216
1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 61426621
1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
CID 64762726
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392227
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 104678002
4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine
CID 65079215

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine (CID 63335610) is 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine is Cc1occc1CN(C)C1(CN)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine?
The InChIKey is OLRJUXGBKWCFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-11(3-5-16-10)7-14(2)12(8-13)4-6-15-9-12/h3,5H,4,6-9,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine?
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine has a molecular weight of 224.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 63335610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).