[2-(furan-3-ylmethylamino)cycloheptyl]methanol

C13H21NO2 — CID 115691389

IUPAC[2-(furan-3-ylmethylamino)cycloheptyl]methanol
SMILESOCC1CCCCCC1NCc1ccoc1
InChIInChI=1S/C13H21NO2/c15-9-12-4-2-1-3-5-13(12)14-8-11-6-7-16-10-11/h6-7,10,12-15H,1-5,8-9H2
InChIKeyKJIYKEBJVQGROR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.31
Rot. Bonds4

About [2-(furan-3-ylmethylamino)cycloheptyl]methanol

[2-(furan-3-ylmethylamino)cycloheptyl]methanol (PubChem CID 115691389) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-(furan-3-ylmethylamino)cycloheptyl]methanol.

Molecular Properties

Compound Name[2-(furan-3-ylmethylamino)cycloheptyl]methanol
PubChem CID115691389
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[2-(furan-3-ylmethylamino)cycloheptyl]methanol
SMILESOCC1CCCCCC1NCc1ccoc1
InChIInChI=1S/C13H21NO2/c15-9-12-4-2-1-3-5-13(12)14-8-11-6-7-16-10-11/h6-7,10,12-15H,1-5,8-9H2
InChIKeyKJIYKEBJVQGROR-UHFFFAOYSA-N
XLogP2.31
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
CID 113255328
(3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol
CID 126847141
2-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 83172756
N-(furan-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 63002147
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol
CID 103699678
[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol
CID 111467057
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
[(1S,2R)-2-[(1-benzylpyrrol-3-yl)methylamino]cycloheptyl]methanol
CID 99616046
[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol
CID 113338463
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]methanol
CID 115655020
N-(furan-3-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine
CID 63204637
2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenyl]propanoic acid
CID 106362480

Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-ylmethylamino)cycloheptyl]methanol?
The IUPAC name of [2-(furan-3-ylmethylamino)cycloheptyl]methanol (CID 115691389) is [2-(furan-3-ylmethylamino)cycloheptyl]methanol.
What is the SMILES notation for [2-(furan-3-ylmethylamino)cycloheptyl]methanol?
The canonical SMILES for [2-(furan-3-ylmethylamino)cycloheptyl]methanol is OCC1CCCCCC1NCc1ccoc1.
What is the InChIKey of [2-(furan-3-ylmethylamino)cycloheptyl]methanol?
The InChIKey is KJIYKEBJVQGROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-9-12-4-2-1-3-5-13(12)14-8-11-6-7-16-10-11/h6-7,10,12-15H,1-5,8-9H2.
What are the key properties of [2-(furan-3-ylmethylamino)cycloheptyl]methanol?
[2-(furan-3-ylmethylamino)cycloheptyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-ylmethylamino)cycloheptyl]methanol is sourced from PubChem (CID 115691389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).