N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine

C15H23N5 — CID 103085558

IUPACN-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C(CC)c1ccccc1
InChIInChI=1S/C15H23N5/c1-4-11-16-12(3)15-17-18-19-20(15)14(5-2)13-9-7-6-8-10-13/h6-10,12,14,16H,4-5,11H2,1-3H3
InChIKeyUUWXTRFVRYBLFU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.73
Rot. Bonds7

About N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103085558) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103085558
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C(CC)c1ccccc1
InChIInChI=1S/C15H23N5/c1-4-11-16-12(3)15-17-18-19-20(15)14(5-2)13-9-7-6-8-10-13/h6-10,12,14,16H,4-5,11H2,1-3H3
InChIKeyUUWXTRFVRYBLFU-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62736519
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
1-(1-phenylpropyl)tetrazol-5-amine
CID 79506714
N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086942
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-[1-(1-cyclopropylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085495
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085944
N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086242
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085714
1-[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085805

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103085558) is N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1C(CC)c1ccccc1.
What is the InChIKey of N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is UUWXTRFVRYBLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-11-16-12(3)15-17-18-19-20(15)14(5-2)13-9-7-6-8-10-13/h6-10,12,14,16H,4-5,11H2,1-3H3.
What are the key properties of N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103085558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).