N-[(1-propoxycyclopentyl)methyl]cyclopropanamine

C12H23NO — CID 62107293

IUPACN-[(1-propoxycyclopentyl)methyl]cyclopropanamine
SMILESCCCOC1(CNC2CC2)CCCC1
InChIInChI=1S/C12H23NO/c1-2-9-14-12(7-3-4-8-12)10-13-11-5-6-11/h11,13H,2-10H2,1H3
InChIKeyWEDZECHJVBXHQY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds6

About N-[(1-propoxycyclopentyl)methyl]cyclopropanamine

N-[(1-propoxycyclopentyl)methyl]cyclopropanamine (PubChem CID 62107293) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(1-propoxycyclopentyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-propoxycyclopentyl)methyl]cyclopropanamine
PubChem CID62107293
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(1-propoxycyclopentyl)methyl]cyclopropanamine
SMILESCCCOC1(CNC2CC2)CCCC1
InChIInChI=1S/C12H23NO/c1-2-9-14-12(7-3-4-8-12)10-13-11-5-6-11/h11,13H,2-10H2,1H3
InChIKeyWEDZECHJVBXHQY-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propoxycyclopentyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-propoxycyclopentyl)methyl]cyclopropanamine (CID 62107293) is N-[(1-propoxycyclopentyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-propoxycyclopentyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-propoxycyclopentyl)methyl]cyclopropanamine is CCCOC1(CNC2CC2)CCCC1.
What is the InChIKey of N-[(1-propoxycyclopentyl)methyl]cyclopropanamine?
The InChIKey is WEDZECHJVBXHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-9-14-12(7-3-4-8-12)10-13-11-5-6-11/h11,13H,2-10H2,1H3.
What are the key properties of N-[(1-propoxycyclopentyl)methyl]cyclopropanamine?
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propoxycyclopentyl)methyl]cyclopropanamine is sourced from PubChem (CID 62107293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).