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

C14H21N5 — CID 103085388

IUPACN-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C(C)c1ccccc1
InChIInChI=1S/C14H21N5/c1-4-10-15-11(2)14-16-17-18-19(14)12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3
InChIKeyAMKQTISKWPELQN-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.34
Rot. Bonds6

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

N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103085388) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103085388
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1C(C)c1ccccc1
InChIInChI=1S/C14H21N5/c1-4-10-15-11(2)14-16-17-18-19(14)12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3
InChIKeyAMKQTISKWPELQN-UHFFFAOYSA-N
XLogP2.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085558
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086942
N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085762
1-[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085805
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
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
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
[5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795389

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103085388) is N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1C(C)c1ccccc1.
What is the InChIKey of N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is AMKQTISKWPELQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-10-15-11(2)14-16-17-18-19(14)12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3.
What are the key properties of N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103085388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).