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

C12H23N5O — CID 107050898

IUPACN-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1(OC)CCCC1
InChIInChI=1S/C12H23N5O/c1-4-13-10(9-11-14-16-17(2)15-11)12(18-3)7-5-6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyBUWSXSNCEPWDFQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.69
Rot. Bonds6

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

N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107050898) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107050898
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1(OC)CCCC1
InChIInChI=1S/C12H23N5O/c1-4-13-10(9-11-14-16-17(2)15-11)12(18-3)7-5-6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyBUWSXSNCEPWDFQ-UHFFFAOYSA-N
XLogP0.69
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107050898) is N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)C1(OC)CCCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is BUWSXSNCEPWDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-13-10(9-11-14-16-17(2)15-11)12(18-3)7-5-6-8-12/h10,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine?
N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 253.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107050898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).