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

C14H25NO2 — CID 62445527

IUPACN-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COCCC(C)C
InChIInChI=1S/C14H25NO2/c1-4-7-15-10-14-13(6-9-17-14)11-16-8-5-12(2)3/h6,9,12,15H,4-5,7-8,10-11H2,1-3H3
InChIKeyJZQRSCPEGAYWKC-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.34
Rot. Bonds9

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

N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62445527) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62445527
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COCCC(C)C
InChIInChI=1S/C14H25NO2/c1-4-7-15-10-14-13(6-9-17-14)11-16-8-5-12(2)3/h6,9,12,15H,4-5,7-8,10-11H2,1-3H3
InChIKeyJZQRSCPEGAYWKC-UHFFFAOYSA-N
XLogP3.34
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445339
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62456618
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103490562
N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine
CID 62456984
N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450050
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62459353
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62445527) is N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1COCCC(C)C.
What is the InChIKey of N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is JZQRSCPEGAYWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-7-15-10-14-13(6-9-17-14)11-16-8-5-12(2)3/h6,9,12,15H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62445527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).