N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine

C12H22N2O — CID 62417062

IUPACN-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1oc(CNC(C)C)cc1CN(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)13-7-12-6-11(8-14(4)5)10(3)15-12/h6,9,13H,7-8H2,1-5H3
InChIKeyCPHSEFBNVSJIPJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.15
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine

N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 62417062) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID62417062
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1oc(CNC(C)C)cc1CN(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)13-7-12-6-11(8-14(4)5)10(3)15-12/h6,9,13H,7-8H2,1-5H3
InChIKeyCPHSEFBNVSJIPJ-UHFFFAOYSA-N
XLogP2.15
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55069990
N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine
CID 63727556
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]oxan-4-amine
CID 62431851
N-[[5-methyl-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62420025
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62432383
N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62426825
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexan-1-amine
CID 62463291
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420942
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62443740
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412465
N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412026

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine (CID 62417062) is N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine is Cc1oc(CNC(C)C)cc1CN(C)C.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is CPHSEFBNVSJIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)13-7-12-6-11(8-14(4)5)10(3)15-12/h6,9,13H,7-8H2,1-5H3.
What are the key properties of N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62417062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).