1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol

C14H27NO2 — CID 54938612

IUPAC1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)C1CCCO1
InChIInChI=1S/C14H27NO2/c1-12(13-7-6-10-17-13)15-11-14(16)8-4-2-3-5-9-14/h12-13,15-16H,2-11H2,1H3
InChIKeyBOCQWRYJCKNKDO-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.23
Rot. Bonds4

About 1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol

1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 54938612) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID54938612
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)C1CCCO1
InChIInChI=1S/C14H27NO2/c1-12(13-7-6-10-17-13)15-11-14(16)8-4-2-3-5-9-14/h12-13,15-16H,2-11H2,1H3
InChIKeyBOCQWRYJCKNKDO-UHFFFAOYSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(oxolan-2-yl)ethylamino]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

1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
1-[(1-cyclobutylethylamino)methyl]cyclopentan-1-ol
CID 115719650
1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol
CID 167757207
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 102896845
1-[[1-(4-benzylmorpholin-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 84587815
2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine
CID 63686991
1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
CID 76919474
1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096067
1-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728554
5-[1-(oxolan-2-yl)ethylamino]pentanoic acid
CID 103238581

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol (CID 54938612) is 1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol is CC(NCC1(O)CCCCCC1)C1CCCO1.
What is the InChIKey of 1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is BOCQWRYJCKNKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(13-7-6-10-17-13)15-11-14(16)8-4-2-3-5-9-14/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol?
1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 54938612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).