N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine

C11H19N5O — CID 114120260

IUPACN-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCCOC1CC(n2nnnc2CNC2CC2)C1
InChIInChI=1S/C11H19N5O/c1-2-17-10-5-9(6-10)16-11(13-14-15-16)7-12-8-3-4-8/h8-10,12H,2-7H2,1H3
InChIKeyPBDLXHIGJRWZBX-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.67
Rot. Bonds6

About N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 114120260) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID114120260
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCCOC1CC(n2nnnc2CNC2CC2)C1
InChIInChI=1S/C11H19N5O/c1-2-17-10-5-9(6-10)16-11(13-14-15-16)7-12-8-3-4-8/h8-10,12H,2-7H2,1H3
InChIKeyPBDLXHIGJRWZBX-UHFFFAOYSA-N
XLogP0.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 114120260) is N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine is CCOC1CC(n2nnnc2CNC2CC2)C1.
What is the InChIKey of N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is PBDLXHIGJRWZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-17-10-5-9(6-10)16-11(13-14-15-16)7-12-8-3-4-8/h8-10,12H,2-7H2,1H3.
What are the key properties of N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 237.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114120260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).