N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine

C11H17NO3 — CID 81102042

IUPACN-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine
SMILESc1coc(CCNCC2CCOCO2)c1
InChIInChI=1S/C11H17NO3/c1-2-10(14-6-1)3-5-12-8-11-4-7-13-9-15-11/h1-2,6,11-12H,3-5,7-9H2
InChIKeyVWJSCZPGKNTSAL-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.17
Rot. Bonds5

About N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine

N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine (PubChem CID 81102042) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine
PubChem CID81102042
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine
SMILESc1coc(CCNCC2CCOCO2)c1
InChIInChI=1S/C11H17NO3/c1-2-10(14-6-1)3-5-12-8-11-4-7-13-9-15-11/h1-2,6,11-12H,3-5,7-9H2
InChIKeyVWJSCZPGKNTSAL-UHFFFAOYSA-N
XLogP1.17
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine
CID 107069094
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
N-[(2-bromophenyl)methyl]-1-(1,3-dioxan-4-yl)methanamine
CID 81102425
N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 80567501
1-cyclopropyl-N-(1,3-dioxan-4-ylmethyl)methanamine
CID 81101660
1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 81102296
2-(furan-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60695276
N'-ethyl-N'-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62558243
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 54954739
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 116679692
N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine
CID 81101551

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine (CID 81102042) is N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine is c1coc(CCNCC2CCOCO2)c1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine?
The InChIKey is VWJSCZPGKNTSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-10(14-6-1)3-5-12-8-11-4-7-13-9-15-11/h1-2,6,11-12H,3-5,7-9H2.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine?
N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 81102042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).