1-(cyclopentylmethyl)-3-methylazetidine;ethane

C14H31N — CID 170635861

IUPAC1-(cyclopentylmethyl)-3-methylazetidine;ethane
SMILESCC.CC.CC1CN(CC2CCCC2)C1
InChIInChI=1S/C10H19N.2C2H6/c1-9-6-11(7-9)8-10-4-2-3-5-10;2*1-2/h9-10H,2-8H2,1H3;2*1-2H3
InChIKeyWCFQKVVKNZMBDG-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.18
Rot. Bonds2

About 1-(cyclopentylmethyl)-3-methylazetidine;ethane

1-(cyclopentylmethyl)-3-methylazetidine;ethane (PubChem CID 170635861) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-methylazetidine;ethane.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-methylazetidine;ethane
PubChem CID170635861
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name1-(cyclopentylmethyl)-3-methylazetidine;ethane
SMILESCC.CC.CC1CN(CC2CCCC2)C1
InChIInChI=1S/C10H19N.2C2H6/c1-9-6-11(7-9)8-10-4-2-3-5-10;2*1-2/h9-10H,2-8H2,1H3;2*1-2H3
InChIKeyWCFQKVVKNZMBDG-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-methylazetidine;ethane?
The IUPAC name of 1-(cyclopentylmethyl)-3-methylazetidine;ethane (CID 170635861) is 1-(cyclopentylmethyl)-3-methylazetidine;ethane.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-methylazetidine;ethane?
The canonical SMILES for 1-(cyclopentylmethyl)-3-methylazetidine;ethane is CC.CC.CC1CN(CC2CCCC2)C1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-methylazetidine;ethane?
The InChIKey is WCFQKVVKNZMBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.2C2H6/c1-9-6-11(7-9)8-10-4-2-3-5-10;2*1-2/h9-10H,2-8H2,1H3;2*1-2H3.
What are the key properties of 1-(cyclopentylmethyl)-3-methylazetidine;ethane?
1-(cyclopentylmethyl)-3-methylazetidine;ethane has a molecular weight of 213.41 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-methylazetidine;ethane is sourced from PubChem (CID 170635861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).