1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

C17H29NO3 — CID 81388401

IUPAC1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESC[C@H](NCC(O)COCc1ccco1)C1CCCCCC1
InChIInChI=1S/C17H29NO3/c1-14(15-7-4-2-3-5-8-15)18-11-16(19)12-20-13-17-9-6-10-21-17/h6,9-10,14-16,18-19H,2-5,7-8,11-13H2,1H3/t14-,16?/m0/s1
InChIKeyBBQVRMWZZVKFNV-LBAUFKAWSA-N
MW295.42 g/mol
LogP3.11
Rot. Bonds8

About 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 81388401) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID81388401
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESC[C@H](NCC(O)COCc1ccco1)C1CCCCCC1
InChIInChI=1S/C17H29NO3/c1-14(15-7-4-2-3-5-8-15)18-11-16(19)12-20-13-17-9-6-10-21-17/h6,9-10,14-16,18-19H,2-5,7-8,11-13H2,1H3/t14-,16?/m0/s1
InChIKeyBBQVRMWZZVKFNV-LBAUFKAWSA-N
XLogP3.11
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215
1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633413
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
2-[[(1R)-1-cyclohexylethyl]amino]-1-(furan-2-yl)ethanol
CID 81384880
2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol
CID 61245995
1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757
1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81352394
1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 54949730
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol
CID 82726496

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 81388401) is 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is C[C@H](NCC(O)COCc1ccco1)C1CCCCCC1.
What is the InChIKey of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is BBQVRMWZZVKFNV-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H29NO3/c1-14(15-7-4-2-3-5-8-15)18-11-16(19)12-20-13-17-9-6-10-21-17/h6,9-10,14-16,18-19H,2-5,7-8,11-13H2,1H3/t14-,16?/m0/s1.
What are the key properties of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 81388401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).