N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine

C14H21N5 — CID 62529368

IUPACN-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCNCC(CC)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5/c1-3-12(11-15-4-2)10-14-16-17-18-19(14)13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3
InChIKeyHKXPGKOWFDVNQG-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.84
Rot. Bonds7

About N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine

N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine (PubChem CID 62529368) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
PubChem CID62529368
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCNCC(CC)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5/c1-3-12(11-15-4-2)10-14-16-17-18-19(14)13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3
InChIKeyHKXPGKOWFDVNQG-UHFFFAOYSA-N
XLogP1.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine (CID 62529368) is N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine is CCNCC(CC)Cc1nnnn1-c1ccccc1.
What is the InChIKey of N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
The InChIKey is HKXPGKOWFDVNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-12(11-15-4-2)10-14-16-17-18-19(14)13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 62529368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).