N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine

C13H23N5O — CID 63827261

IUPACN-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESC1CCC(OCCn2nnnc2CNC2CC2)CC1
InChIInChI=1S/C13H23N5O/c1-2-4-12(5-3-1)19-9-8-18-13(15-16-17-18)10-14-11-6-7-11/h11-12,14H,1-10H2
InChIKeyLYCSAFLIOZLRNZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.27
Rot. Bonds7

About N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 63827261) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID63827261
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESC1CCC(OCCn2nnnc2CNC2CC2)CC1
InChIInChI=1S/C13H23N5O/c1-2-4-12(5-3-1)19-9-8-18-13(15-16-17-18)10-14-11-6-7-11/h11-12,14H,1-10H2
InChIKeyLYCSAFLIOZLRNZ-UHFFFAOYSA-N
XLogP1.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 63827261) is N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine is C1CCC(OCCn2nnnc2CNC2CC2)CC1.
What is the InChIKey of N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is LYCSAFLIOZLRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-4-12(5-3-1)19-9-8-18-13(15-16-17-18)10-14-11-6-7-11/h11-12,14H,1-10H2.
What are the key properties of N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 265.36 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63827261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).