[1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine

C14H27NO2 — CID 103132528

IUPAC[1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine
SMILESCC1CCC(COC2(CN)CCCCCC2)O1
InChIInChI=1S/C14H27NO2/c1-12-6-7-13(17-12)10-16-14(11-15)8-4-2-3-5-9-14/h12-13H,2-11,15H2,1H3
InChIKeyKTZWLGMJNQWPKB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.62
Rot. Bonds4

About [1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine

[1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine (PubChem CID 103132528) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine
PubChem CID103132528
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine
SMILESCC1CCC(COC2(CN)CCCCCC2)O1
InChIInChI=1S/C14H27NO2/c1-12-6-7-13(17-12)10-16-14(11-15)8-4-2-3-5-9-14/h12-13H,2-11,15H2,1H3
InChIKeyKTZWLGMJNQWPKB-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methanamine
CID 103138394
[1-[(5-methyloxolan-2-yl)methyl]cyclopentyl]methanamine
CID 103138397
[1-(cyclohexylmethoxy)cyclohexyl]methanamine
CID 62383521
[1-(cyclopentylmethoxy)cycloheptyl]methanamine
CID 65051749
1-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine
CID 103142102
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
CID 62109560
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 65050953
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926
1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile
CID 103142237
[(2R)-5-methyloxolan-2-yl]methoxythallium
CID 142985818
[1-(3-ethoxypropoxy)cycloheptyl]methanamine
CID 65176333
[1-(oxolan-2-ylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 62107413

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine?
The IUPAC name of [1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine (CID 103132528) is [1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine.
What is the SMILES notation for [1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine?
The canonical SMILES for [1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine is CC1CCC(COC2(CN)CCCCCC2)O1.
What is the InChIKey of [1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine?
The InChIKey is KTZWLGMJNQWPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12-6-7-13(17-12)10-16-14(11-15)8-4-2-3-5-9-14/h12-13H,2-11,15H2,1H3.
What are the key properties of [1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine?
[1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine has a molecular weight of 241.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine is sourced from PubChem (CID 103132528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).