N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine

C15H23N5 — CID 62988235

IUPACN-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1CCC(C)c1ccccc1
InChIInChI=1S/C15H23N5/c1-3-10-16-12-15-17-18-19-20(15)11-9-13(2)14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3
InChIKeyZCUVPBRXXQQJHI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds8

About N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine

N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62988235) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62988235
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1CCC(C)c1ccccc1
InChIInChI=1S/C15H23N5/c1-3-10-16-12-15-17-18-19-20(15)11-9-13(2)14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3
InChIKeyZCUVPBRXXQQJHI-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62988235) is N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1CCC(C)c1ccccc1.
What is the InChIKey of N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is ZCUVPBRXXQQJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-10-16-12-15-17-18-19-20(15)11-9-13(2)14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3.
What are the key properties of N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62988235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).