N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine

C13H21NO2 — CID 115677915

IUPACN-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine
SMILESCC(C)C1OCCC1CNCc1ccco1
InChIInChI=1S/C13H21NO2/c1-10(2)13-11(5-7-16-13)8-14-9-12-4-3-6-15-12/h3-4,6,10-11,13-14H,5,7-9H2,1-2H3
InChIKeyIWKOWKYFTDUKQG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.43
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine

N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine (PubChem CID 115677915) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine
PubChem CID115677915
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine
SMILESCC(C)C1OCCC1CNCc1ccco1
InChIInChI=1S/C13H21NO2/c1-10(2)13-11(5-7-16-13)8-14-9-12-4-3-6-15-12/h3-4,6,10-11,13-14H,5,7-9H2,1-2H3
InChIKeyIWKOWKYFTDUKQG-UHFFFAOYSA-N
XLogP2.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129000253
N-[(1-methylpyrrol-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 128998062
N-(furan-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107178330
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997531
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997534
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129005157
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide
CID 128993203
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)propan-1-amine
CID 62597661
N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine
CID 63556735
2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
CID 115887817
1-(4-cyclopropylmorpholin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 119124707

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine (CID 115677915) is N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine is CC(C)C1OCCC1CNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine?
The InChIKey is IWKOWKYFTDUKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)13-11(5-7-16-13)8-14-9-12-4-3-6-15-12/h3-4,6,10-11,13-14H,5,7-9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine?
N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine is sourced from PubChem (CID 115677915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).