2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol

C13H21NO2 — CID 81399364

IUPAC2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol
SMILESC[C@H](NC1CCCCCC1O)c1ccco1
InChIInChI=1S/C13H21NO2/c1-10(13-8-5-9-16-13)14-11-6-3-2-4-7-12(11)15/h5,8-12,14-15H,2-4,6-7H2,1H3/t10-,11?,12?/m0/s1
InChIKeyFIJWACXFYIOLID-UNXYVOJBSA-N
MW223.32 g/mol
LogP2.62
Rot. Bonds3

About 2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol

2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol (PubChem CID 81399364) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol
PubChem CID81399364
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol
SMILESC[C@H](NC1CCCCCC1O)c1ccco1
InChIInChI=1S/C13H21NO2/c1-10(13-8-5-9-16-13)14-11-6-3-2-4-7-12(11)15/h5,8-12,14-15H,2-4,6-7H2,1H3/t10-,11?,12?/m0/s1
InChIKeyFIJWACXFYIOLID-UNXYVOJBSA-N
XLogP2.62
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]cyclopentan-1-ol
CID 102733843
(3R,4R)-4-[1-(furan-2-yl)ethylamino]pyrrolidin-3-ol
CID 131175689
2-(aminomethyl)-N-[(1R)-1-(furan-2-yl)ethyl]cyclohexan-1-amine
CID 81403207
N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786666
2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]cyclopentan-1-amine
CID 81403374
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81403412
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82718277
2-[1-(5-methylfuran-2-yl)ethylamino]cyclohexan-1-ol
CID 61039875
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol?
The IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol (CID 81399364) is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol?
The canonical SMILES for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol is C[C@H](NC1CCCCCC1O)c1ccco1.
What is the InChIKey of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol?
The InChIKey is FIJWACXFYIOLID-UNXYVOJBSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(13-8-5-9-16-13)14-11-6-3-2-4-7-12(11)15/h5,8-12,14-15H,2-4,6-7H2,1H3/t10-,11?,12?/m0/s1.
What are the key properties of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol?
2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]cycloheptan-1-ol is sourced from PubChem (CID 81399364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).