4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline

C14H21N5O2 — CID 61377736

IUPAC4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline
SMILESCCC(CC)n1nnnc1-c1cc(OC)c(OC)cc1N
InChIInChI=1S/C14H21N5O2/c1-5-9(6-2)19-14(16-17-18-19)10-7-12(20-3)13(21-4)8-11(10)15/h7-9H,5-6,15H2,1-4H3
InChIKeyOSPKFNQBPCURIL-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.30
Rot. Bonds6

About 4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline

4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline (PubChem CID 61377736) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline
PubChem CID61377736
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline
SMILESCCC(CC)n1nnnc1-c1cc(OC)c(OC)cc1N
InChIInChI=1S/C14H21N5O2/c1-5-9(6-2)19-14(16-17-18-19)10-7-12(20-3)13(21-4)8-11(10)15/h7-9H,5-6,15H2,1-4H3
InChIKeyOSPKFNQBPCURIL-UHFFFAOYSA-N
XLogP2.30
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61378324
2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline
CID 61351683
2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline
CID 102706313
3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
CID 104784596
5-bromo-3-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]-2-methylaniline
CID 107874009
4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 61464186
2-chloro-3-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline
CID 112580505
3-(1-butan-2-yltetrazol-5-yl)-2-methoxyaniline
CID 113386681
4,5-dimethoxy-2-(1-thiophen-3-yltetrazol-5-yl)aniline
CID 66350648
2-(1-butan-2-yltetrazol-5-yl)-3-methoxyaniline
CID 81414304
4-[1-(4-methoxybutan-2-yl)tetrazol-5-yl]benzene-1,3-diamine
CID 64605125
4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119532

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline?
The IUPAC name of 4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline (CID 61377736) is 4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline.
What is the SMILES notation for 4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline?
The canonical SMILES for 4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline is CCC(CC)n1nnnc1-c1cc(OC)c(OC)cc1N.
What is the InChIKey of 4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline?
The InChIKey is OSPKFNQBPCURIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-5-9(6-2)19-14(16-17-18-19)10-7-12(20-3)13(21-4)8-11(10)15/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline?
4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline has a molecular weight of 291.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline is sourced from PubChem (CID 61377736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).