1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol

C14H23NO2 — CID 115654205

IUPAC1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCc1ccoc1CNCC1(O)CCCCCC1
InChIInChI=1S/C14H23NO2/c1-12-6-9-17-13(12)10-15-11-14(16)7-4-2-3-5-8-14/h6,9,15-16H,2-5,7-8,10-11H2,1H3
InChIKeyJSANSRBBQKUSSF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.76
Rot. Bonds4

About 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol

1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 115654205) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol
PubChem CID115654205
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCc1ccoc1CNCC1(O)CCCCCC1
InChIInChI=1S/C14H23NO2/c1-12-6-9-17-13(12)10-15-11-14(16)7-4-2-3-5-8-14/h6,9,15-16H,2-5,7-8,10-11H2,1H3
InChIKeyJSANSRBBQKUSSF-UHFFFAOYSA-N
XLogP2.76
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103753029
3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629674
N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103724331
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115684793
1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111466662
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 78963908
2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 115651871
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide
CID 114480437
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol (CID 115654205) is 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol is Cc1ccoc1CNCC1(O)CCCCCC1.
What is the InChIKey of 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is JSANSRBBQKUSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12-6-9-17-13(12)10-15-11-14(16)7-4-2-3-5-8-14/h6,9,15-16H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol?
1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 115654205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).