1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol

C16H27NO2 — CID 65115344

IUPAC1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCC(NCC1(O)CCC(C)(C)CC1)c1ccco1
InChIInChI=1S/C16H27NO2/c1-4-13(14-6-5-11-19-14)17-12-16(18)9-7-15(2,3)8-10-16/h5-6,11,13,17-18H,4,7-10,12H2,1-3H3
InChIKeyUNNAWOAXKSDGAG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.65
Rot. Bonds5

About 1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65115344) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65115344
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCC(NCC1(O)CCC(C)(C)CC1)c1ccco1
InChIInChI=1S/C16H27NO2/c1-4-13(14-6-5-11-19-14)17-12-16(18)9-7-15(2,3)8-10-16/h5-6,11,13,17-18H,4,7-10,12H2,1-3H3
InChIKeyUNNAWOAXKSDGAG-UHFFFAOYSA-N
XLogP3.65
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(furan-2-yl)propylamino]methyl]cyclohexan-1-ol
CID 65107011
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine
CID 107163253
1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104759685
4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol
CID 115722103
N-(cyclohexylmethyl)-1-(furan-2-yl)propan-1-amine
CID 62633963
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
N-(2-cyclopentylethyl)-1-(furan-2-yl)propan-1-amine
CID 62633625
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide
CID 113409686
N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine
CID 65390247
2-[1-(furan-2-yl)propylamino]-N-propan-2-ylacetamide
CID 62633589
4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol
CID 114871723

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 65115344) is 1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol is CCC(NCC1(O)CCC(C)(C)CC1)c1ccco1.
What is the InChIKey of 1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is UNNAWOAXKSDGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-13(14-6-5-11-19-14)17-12-16(18)9-7-15(2,3)8-10-16/h5-6,11,13,17-18H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65115344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).