N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline

C15H23N5 — CID 43732890

IUPACN-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
SMILESCCCCCCCNc1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C15H23N5/c1-3-4-5-6-7-10-16-14-8-9-15(13(2)11-14)20-12-17-18-19-20/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeyBBZFTNNAXUSKSS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.35
Rot. Bonds8

About N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline

N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline (PubChem CID 43732890) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
PubChem CID43732890
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
SMILESCCCCCCCNc1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C15H23N5/c1-3-4-5-6-7-10-16-14-8-9-15(13(2)11-14)20-12-17-18-19-20/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeyBBZFTNNAXUSKSS-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
N-heptyl-3,4-dimethylaniline
CID 43129292
3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 107235182
3-methyl-4-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63655002
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
CID 104756623
3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 32974148
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502
3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62743208
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262

Frequently Asked Questions

What is the IUPAC name of N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline (CID 43732890) is N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline is CCCCCCCNc1ccc(-n2cnnn2)c(C)c1.
What is the InChIKey of N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline?
The InChIKey is BBZFTNNAXUSKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-4-5-6-7-10-16-14-8-9-15(13(2)11-14)20-12-17-18-19-20/h8-9,11-12,16H,3-7,10H2,1-2H3.
What are the key properties of N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline?
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline has a molecular weight of 273.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43732890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).