N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine

C14H23NO2 — CID 80684788

IUPACN-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1(C)CCCCO1
InChIInChI=1S/C14H23NO2/c1-3-8-15-13(12-6-10-16-11-12)14(2)7-4-5-9-17-14/h6,10-11,13,15H,3-5,7-9H2,1-2H3
InChIKeyCGYUKVZAVITKKF-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.28
Rot. Bonds5

About N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine

N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine (PubChem CID 80684788) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
PubChem CID80684788
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1(C)CCCCO1
InChIInChI=1S/C14H23NO2/c1-3-8-15-13(12-6-10-16-11-12)14(2)7-4-5-9-17-14/h6,10-11,13,15H,3-5,7-9H2,1-2H3
InChIKeyCGYUKVZAVITKKF-UHFFFAOYSA-N
XLogP3.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine (CID 80684788) is N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)C1(C)CCCCO1.
What is the InChIKey of N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
The InChIKey is CGYUKVZAVITKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-8-15-13(12-6-10-16-11-12)14(2)7-4-5-9-17-14/h6,10-11,13,15H,3-5,7-9H2,1-2H3.
What are the key properties of N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80684788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).