N-[(5-methylfuran-3-yl)methyl]propan-1-amine

C9H15NO — CID 114820468

IUPACN-[(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNCc1coc(C)c1
InChIInChI=1S/C9H15NO/c1-3-4-10-6-9-5-8(2)11-7-9/h5,7,10H,3-4,6H2,1-2H3
InChIKeyKLCDAZODFYSJPW-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.09
Rot. Bonds4

About N-[(5-methylfuran-3-yl)methyl]propan-1-amine

N-[(5-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 114820468) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(5-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID114820468
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNCc1coc(C)c1
InChIInChI=1S/C9H15NO/c1-3-4-10-6-9-5-8(2)11-7-9/h5,7,10H,3-4,6H2,1-2H3
InChIKeyKLCDAZODFYSJPW-UHFFFAOYSA-N
XLogP2.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
CID 114820512
N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 114820520
2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
CID 114820503
N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820563
N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820562
N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820560
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62448149
N-[(5-methylfuran-3-yl)methyl]butan-2-amine
CID 114820499
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62437153
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 106316636

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methylfuran-3-yl)methyl]propan-1-amine (CID 114820468) is N-[(5-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methylfuran-3-yl)methyl]propan-1-amine is CCCNCc1coc(C)c1.
What is the InChIKey of N-[(5-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is KLCDAZODFYSJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-10-6-9-5-8(2)11-7-9/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-methylfuran-3-yl)methyl]propan-1-amine?
N-[(5-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 153.22 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114820468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).