3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine

C12H18N4O2 — CID 115682204

IUPAC3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCn1nncc1CNCCCOCc1ccco1
InChIInChI=1S/C12H18N4O2/c1-16-11(9-14-15-16)8-13-5-3-6-17-10-12-4-2-7-18-12/h2,4,7,9,13H,3,5-6,8,10H2,1H3
InChIKeyTTWLDELGRAECLI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.10
Rot. Bonds8

About 3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine

3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 115682204) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID115682204
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCn1nncc1CNCCCOCc1ccco1
InChIInChI=1S/C12H18N4O2/c1-16-11(9-14-15-16)8-13-5-3-6-17-10-12-4-2-7-18-12/h2,4,7,9,13H,3,5-6,8,10H2,1H3
InChIKeyTTWLDELGRAECLI-UHFFFAOYSA-N
XLogP1.10
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682364
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
N-[(3-methyltriazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115682207
3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 54976458
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
CID 104585866
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
N-[(3-methyltriazol-4-yl)methyl]decan-1-amine
CID 115690037
3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 78959610

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine (CID 115682204) is 3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine is Cn1nncc1CNCCCOCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is TTWLDELGRAECLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-11(9-14-15-16)8-13-5-3-6-17-10-12-4-2-7-18-12/h2,4,7,9,13H,3,5-6,8,10H2,1H3.
What are the key properties of 3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine?
3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 250.30 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethoxy)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115682204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).