N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine

C13H25N5 — CID 114125135

IUPACN-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1CC1(CC)CCCC1
InChIInChI=1S/C13H25N5/c1-4-13(8-6-7-9-13)10-18-12(15-16-17-18)11(3)14-5-2/h11,14H,4-10H2,1-3H3
InChIKeyUDDSFIFDEZCSKO-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.31
Rot. Bonds6

About N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine

N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine (PubChem CID 114125135) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine
PubChem CID114125135
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1CC1(CC)CCCC1
InChIInChI=1S/C13H25N5/c1-4-13(8-6-7-9-13)10-18-12(15-16-17-18)11(3)14-5-2/h11,14H,4-10H2,1-3H3
InChIKeyUDDSFIFDEZCSKO-UHFFFAOYSA-N
XLogP2.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine (CID 114125135) is N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine is CCNC(C)c1nnnn1CC1(CC)CCCC1.
What is the InChIKey of N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine?
The InChIKey is UDDSFIFDEZCSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-13(8-6-7-9-13)10-18-12(15-16-17-18)11(3)14-5-2/h11,14H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine?
N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine has a molecular weight of 251.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 114125135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).