5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline

C13H20N6 — CID 82228499

IUPAC5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline
SMILESCc1ccc(-c2nnnn2CCCN(C)C)cc1N
InChIInChI=1S/C13H20N6/c1-10-5-6-11(9-12(10)14)13-15-16-17-19(13)8-4-7-18(2)3/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyKUMKGSMCUIZSQF-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.18
Rot. Bonds5

About 5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline

5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline (PubChem CID 82228499) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline
PubChem CID82228499
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline
SMILESCc1ccc(-c2nnnn2CCCN(C)C)cc1N
InChIInChI=1S/C13H20N6/c1-10-5-6-11(9-12(10)14)13-15-16-17-19(13)8-4-7-18(2)3/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyKUMKGSMCUIZSQF-UHFFFAOYSA-N
XLogP1.18
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684
3-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]aniline
CID 82228486
2-methyl-5-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115521931
2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
CID 61378776
5-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61377583
5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61376820
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
CID 104765217
2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 61351832
2-methoxy-5-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227108
3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine
CID 82228458

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline?
The IUPAC name of 5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline (CID 82228499) is 5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline.
What is the SMILES notation for 5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline?
The canonical SMILES for 5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline is Cc1ccc(-c2nnnn2CCCN(C)C)cc1N.
What is the InChIKey of 5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline?
The InChIKey is KUMKGSMCUIZSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-5-6-11(9-12(10)14)13-15-16-17-19(13)8-4-7-18(2)3/h5-6,9H,4,7-8,14H2,1-3H3.
What are the key properties of 5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline?
5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline has a molecular weight of 260.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline is sourced from PubChem (CID 82228499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).