N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine

C12H22N2O — CID 62421990

IUPACN-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1cc(CN)co1)CC(C)C
InChIInChI=1S/C12H22N2O/c1-4-14(7-10(2)3)8-12-5-11(6-13)9-15-12/h5,9-10H,4,6-8,13H2,1-3H3
InChIKeyQYDTYGVVCMPIGZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.22
Rot. Bonds6

About N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine

N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 62421990) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
PubChem CID62421990
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1cc(CN)co1)CC(C)C
InChIInChI=1S/C12H22N2O/c1-4-14(7-10(2)3)8-12-5-11(6-13)9-15-12/h5,9-10H,4,6-8,13H2,1-3H3
InChIKeyQYDTYGVVCMPIGZ-UHFFFAOYSA-N
XLogP2.22
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine (CID 62421990) is N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine is CCN(Cc1cc(CN)co1)CC(C)C.
What is the InChIKey of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is QYDTYGVVCMPIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-14(7-10(2)3)8-12-5-11(6-13)9-15-12/h5,9-10H,4,6-8,13H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine?
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 62421990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).