N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine

C13H22N2O2 — CID 62392008

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine
SMILESCN(Cc1ccco1)CC1(CN)CCOCC1
InChIInChI=1S/C13H22N2O2/c1-15(9-12-3-2-6-17-12)11-13(10-14)4-7-16-8-5-13/h2-3,6H,4-5,7-11,14H2,1H3
InChIKeyUZPQJMQMQPYCQK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds5

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 62392008) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine
PubChem CID62392008
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine
SMILESCN(Cc1ccco1)CC1(CN)CCOCC1
InChIInChI=1S/C13H22N2O2/c1-15(9-12-3-2-6-17-12)11-13(10-14)4-7-16-8-5-13/h2-3,6H,4-5,7-11,14H2,1H3
InChIKeyUZPQJMQMQPYCQK-UHFFFAOYSA-N
XLogP1.47
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62391822
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 62392345
1-(furan-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62258015
N-[[3-[[furan-2-ylmethyl(methyl)amino]methyl]oxan-3-yl]methyl]ethanamine
CID 63739772
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
3-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide
CID 119160127
3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol
CID 56728327
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
CID 82171579
1-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 80587658
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine (CID 62392008) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine is CN(Cc1ccco1)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is UZPQJMQMQPYCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(9-12-3-2-6-17-12)11-13(10-14)4-7-16-8-5-13/h2-3,6H,4-5,7-11,14H2,1H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62392008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).