N-propan-2-yl-3-propoxycyclopentan-1-amine

C11H23NO — CID 167170418

IUPACN-propan-2-yl-3-propoxycyclopentan-1-amine
SMILESCCCOC1CCC(NC(C)C)C1
InChIInChI=1S/C11H23NO/c1-4-7-13-11-6-5-10(8-11)12-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyVCYWMJMEWSIIQL-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds5

About N-propan-2-yl-3-propoxycyclopentan-1-amine

N-propan-2-yl-3-propoxycyclopentan-1-amine (PubChem CID 167170418) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-propan-2-yl-3-propoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-propoxycyclopentan-1-amine
PubChem CID167170418
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-propan-2-yl-3-propoxycyclopentan-1-amine
SMILESCCCOC1CCC(NC(C)C)C1
InChIInChI=1S/C11H23NO/c1-4-7-13-11-6-5-10(8-11)12-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyVCYWMJMEWSIIQL-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-propoxycyclopentan-1-amine?
The IUPAC name of N-propan-2-yl-3-propoxycyclopentan-1-amine (CID 167170418) is N-propan-2-yl-3-propoxycyclopentan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-propoxycyclopentan-1-amine?
The canonical SMILES for N-propan-2-yl-3-propoxycyclopentan-1-amine is CCCOC1CCC(NC(C)C)C1.
What is the InChIKey of N-propan-2-yl-3-propoxycyclopentan-1-amine?
The InChIKey is VCYWMJMEWSIIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-7-13-11-6-5-10(8-11)12-9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of N-propan-2-yl-3-propoxycyclopentan-1-amine?
N-propan-2-yl-3-propoxycyclopentan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-propoxycyclopentan-1-amine is sourced from PubChem (CID 167170418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).