3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine

C13H21NO — CID 104805642

IUPAC3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
SMILESCCNC(CCC1CC1)c1occc1C
InChIInChI=1S/C13H21NO/c1-3-14-12(7-6-11-4-5-11)13-10(2)8-9-15-13/h8-9,11-12,14H,3-7H2,1-2H3
InChIKeyHZWRRIGFGUWQCQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.43
Rot. Bonds6

About 3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine

3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine (PubChem CID 104805642) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
PubChem CID104805642
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
SMILESCCNC(CCC1CC1)c1occc1C
InChIInChI=1S/C13H21NO/c1-3-14-12(7-6-11-4-5-11)13-10(2)8-9-15-13/h8-9,11-12,14H,3-7H2,1-2H3
InChIKeyHZWRRIGFGUWQCQ-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805164
N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
CID 104805306
N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine
CID 104805256
N-ethyl-5-methyl-1-(3-methylfuran-2-yl)hexan-1-amine
CID 104805236
N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine
CID 115892086
N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine
CID 61063846
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
CID 104805664
3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 104994734
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287
3-cyclopropyl-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 104994836
N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine
CID 104805469

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine (CID 104805642) is 3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine is CCNC(CCC1CC1)c1occc1C.
What is the InChIKey of 3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine?
The InChIKey is HZWRRIGFGUWQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-14-12(7-6-11-4-5-11)13-10(2)8-9-15-13/h8-9,11-12,14H,3-7H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine?
3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 104805642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).