N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline

C14H19N5 — CID 55096519

IUPACN-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cnnn1)C1CCCC1
InChIInChI=1S/C14H19N5/c1-11(12-6-2-3-7-12)16-13-8-4-5-9-14(13)19-10-15-17-18-19/h4-5,8-12,16H,2-3,6-7H2,1H3
InChIKeyZZFQJEOSKYFCTQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds4

About N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline

N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline (PubChem CID 55096519) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline
PubChem CID55096519
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cnnn1)C1CCCC1
InChIInChI=1S/C14H19N5/c1-11(12-6-2-3-7-12)16-13-8-4-5-9-14(13)19-10-15-17-18-19/h4-5,8-12,16H,2-3,6-7H2,1H3
InChIKeyZZFQJEOSKYFCTQ-UHFFFAOYSA-N
XLogP2.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702094
N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline
CID 43779547
N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine
CID 43702152
N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline
CID 102868555
N-[1-(2-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702199
N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702187
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline
CID 62091747
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 61333962
N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline
CID 104869027
(2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104912986
N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 63992655

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline (CID 55096519) is N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline is CC(Nc1ccccc1-n1cnnn1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline?
The InChIKey is ZZFQJEOSKYFCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11(12-6-2-3-7-12)16-13-8-4-5-9-14(13)19-10-15-17-18-19/h4-5,8-12,16H,2-3,6-7H2,1H3.
What are the key properties of N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline?
N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline has a molecular weight of 257.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 55096519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).