N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine

C11H19NO — CID 106887200

IUPACN-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CC(C)C
InChIInChI=1S/C11H19NO/c1-4-12-8-11-10(5-6-13-11)7-9(2)3/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyZYWSBRCNZBIWHF-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.59
Rot. Bonds5

About N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine

N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine (PubChem CID 106887200) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine
PubChem CID106887200
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CC(C)C
InChIInChI=1S/C11H19NO/c1-4-12-8-11-10(5-6-13-11)7-9(2)3/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyZYWSBRCNZBIWHF-UHFFFAOYSA-N
XLogP2.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445339
N'-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62426635
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62438666
N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine
CID 102987125
N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine
CID 114748814
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62428599
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
2-(ethylaminomethyl)furan-3-carbonitrile
CID 106887931
N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62429369
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-methylcyclopentanamine
CID 55074631

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine (CID 106887200) is N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine is CCNCc1occc1CC(C)C.
What is the InChIKey of N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine?
The InChIKey is ZYWSBRCNZBIWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-12-8-11-10(5-6-13-11)7-9(2)3/h5-6,9,12H,4,7-8H2,1-3H3.
What are the key properties of N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine?
N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).