3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine

C13H25NO — CID 103131833

IUPAC3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine
SMILESCC1CCC(CC2CCCCC(N)C2)O1
InChIInChI=1S/C13H25NO/c1-10-6-7-13(15-10)9-11-4-2-3-5-12(14)8-11/h10-13H,2-9,14H2,1H3
InChIKeyYRRPWIZYWUQYTA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.85
Rot. Bonds2

About 3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine

3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine (PubChem CID 103131833) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine
PubChem CID103131833
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine
SMILESCC1CCC(CC2CCCCC(N)C2)O1
InChIInChI=1S/C13H25NO/c1-10-6-7-13(15-10)9-11-4-2-3-5-12(14)8-11/h10-13H,2-9,14H2,1H3
InChIKeyYRRPWIZYWUQYTA-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine
CID 103131852
4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine
CID 103135848
3-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 64504353
2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane
CID 103131719
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926
2-methyl-6-(oxetan-3-ylmethyl)oxane
CID 146414314
3-ethylcyclooctan-1-amine
CID 126707955
2-(cyclopentylmethyl)-6-methylmorpholine
CID 103159107
2-[(5-methyloxolan-2-yl)methyl]pyrrolidine
CID 104687972
2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one
CID 103131716
2-methyl-N-[(5-methyloxolan-2-yl)methyl]cyclopropan-1-amine
CID 82835970
(2S,5S)-5-methyloxolan-2-amine
CID 166109571

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine (CID 103131833) is 3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine is CC1CCC(CC2CCCCC(N)C2)O1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine?
The InChIKey is YRRPWIZYWUQYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-6-7-13(15-10)9-11-4-2-3-5-12(14)8-11/h10-13H,2-9,14H2,1H3.
What are the key properties of 3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine?
3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 103131833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).