2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine

C12H19NO — CID 102652175

IUPAC2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1=CCCO1
InChIInChI=1S/C12H19NO/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h5,7,11H,1-4,6,8-9,13H2
InChIKeySGEOGALCHYKSQA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine

2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine (PubChem CID 102652175) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine
PubChem CID102652175
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1=CCCO1
InChIInChI=1S/C12H19NO/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h5,7,11H,1-4,6,8-9,13H2
InChIKeySGEOGALCHYKSQA-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653305
1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(Cyclohexen-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 113860665
6-Methoxy-1,2,3,4,5,8-hexahydronaphthalen-1-amine
CID 53775110
5-Cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
CID 123779423
(Z)-4-methoxytridec-3-en-5-amine
CID 143745204
(3R,6S)-2,3,4,5,6,7-hexahydro-1-benzofuran-3,6-diamine
CID 163454767
Cyclohepten-1-yl(oxolan-2-yl)methanamine
CID 62079084
Cyclopenten-1-yl(oxolan-2-yl)methanamine
CID 62079404
Cyclohexen-1-yl(oxolan-2-yl)methanamine
CID 62080509
Cyclohexen-1-yl(oxan-2-yl)methanamine
CID 62212632
Cyclopenten-1-yl(oxan-2-yl)methanamine
CID 62212812

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine (CID 102652175) is 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine is NC(CC1=CCCCC1)C1=CCCO1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine?
The InChIKey is SGEOGALCHYKSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h5,7,11H,1-4,6,8-9,13H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine?
2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethanamine is sourced from PubChem (CID 102652175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).