1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine

C15H29NO — CID 66322900

IUPAC1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine
SMILESCNCC1(OCC2CCCC2)CCCCCC1
InChIInChI=1S/C15H29NO/c1-16-13-15(10-6-2-3-7-11-15)17-12-14-8-4-5-9-14/h14,16H,2-13H2,1H3
InChIKeyFHBQKVKDGSUICK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.51
Rot. Bonds5

About 1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine

1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine (PubChem CID 66322900) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine
PubChem CID66322900
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine
SMILESCNCC1(OCC2CCCC2)CCCCCC1
InChIInChI=1S/C15H29NO/c1-16-13-15(10-6-2-3-7-11-15)17-12-14-8-4-5-9-14/h14,16H,2-13H2,1H3
InChIKeyFHBQKVKDGSUICK-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine (CID 66322900) is 1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine is CNCC1(OCC2CCCC2)CCCCCC1.
What is the InChIKey of 1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine?
The InChIKey is FHBQKVKDGSUICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-16-13-15(10-6-2-3-7-11-15)17-12-14-8-4-5-9-14/h14,16H,2-13H2,1H3.
What are the key properties of 1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine?
1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 66322900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).