1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

C13H25N5O — CID 107051108

IUPAC1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1(OCC)CCCC1
InChIInChI=1S/C13H25N5O/c1-4-14-11(10-12-15-17-18(3)16-12)13(19-5-2)8-6-7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyXTLCHGXTYPJCMB-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.08
Rot. Bonds7

About 1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107051108) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107051108
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1(OCC)CCCC1
InChIInChI=1S/C13H25N5O/c1-4-14-11(10-12-15-17-18(3)16-12)13(19-5-2)8-6-7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyXTLCHGXTYPJCMB-UHFFFAOYSA-N
XLogP1.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107051108) is 1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)C1(OCC)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is XTLCHGXTYPJCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-14-11(10-12-15-17-18(3)16-12)13(19-5-2)8-6-7-9-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 267.38 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107051108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).