N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine

C13H22N2O2 — CID 82835800

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)C2CCCO2)o1
InChIInChI=1S/C13H22N2O2/c1-10-5-6-11(17-10)9-15(2)12(8-14)13-4-3-7-16-13/h5-6,12-13H,3-4,7-9,14H2,1-2H3
InChIKeyXWHWACVESDWUSJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.53
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835800) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID82835800
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)C2CCCO2)o1
InChIInChI=1S/C13H22N2O2/c1-10-5-6-11(17-10)9-15(2)12(8-14)13-4-3-7-16-13/h5-6,12-13H,3-4,7-9,14H2,1-2H3
InChIKeyXWHWACVESDWUSJ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132605
N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine
CID 82836501
N-(4-ethylphenyl)-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835210
1-(furan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 63208254
1-(2-cyclopropylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 79970674
N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835095
(5-methylfuran-2-yl)-(oxolan-2-yl)methanol
CID 123810880
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526188
3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine
CID 43526109
N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine
CID 82835493
1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526191
2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 24713986

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine (CID 82835800) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine is Cc1ccc(CN(C)C(CN)C2CCCO2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is XWHWACVESDWUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-5-6-11(17-10)9-15(2)12(8-14)13-4-3-7-16-13/h5-6,12-13H,3-4,7-9,14H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).