1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine

C13H19NO — CID 116661188

IUPAC1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine
SMILESNC(CC1=CCCCC1)Cc1ccoc1
InChIInChI=1S/C13H19NO/c14-13(9-12-6-7-15-10-12)8-11-4-2-1-3-5-11/h4,6-7,10,13H,1-3,5,8-9,14H2
InChIKeyYIZWHZXDVSTTRZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.04
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine

1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine (PubChem CID 116661188) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine
PubChem CID116661188
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine
SMILESNC(CC1=CCCCC1)Cc1ccoc1
InChIInChI=1S/C13H19NO/c14-13(9-12-6-7-15-10-12)8-11-4-2-1-3-5-11/h4,6-7,10,13H,1-3,5,8-9,14H2
InChIKeyYIZWHZXDVSTTRZ-UHFFFAOYSA-N
XLogP3.04
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.04
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

1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine
CID 105406982
1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116661199
1-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)propan-2-amine
CID 116661239
1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 105030036
4-cyclohexyl-1-(furan-3-yl)butan-2-amine
CID 105029745
1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661135
1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
CID 116661214
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
1-(cyclohexen-1-yl)-3-quinolin-2-ylpropan-2-amine
CID 116661388
(2S)-2-amino-3-(cyclohexen-1-yl)propanoate
CID 153456167
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine (CID 116661188) is 1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine is NC(CC1=CCCCC1)Cc1ccoc1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine?
The InChIKey is YIZWHZXDVSTTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-13(9-12-6-7-15-10-12)8-11-4-2-1-3-5-11/h4,6-7,10,13H,1-3,5,8-9,14H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine?
1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine is sourced from PubChem (CID 116661188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).