N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine

C13H19N5 — CID 63199558

IUPACN-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
SMILESCCNC(C)C(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5/c1-4-14-11(3)10(2)13-15-16-17-18(13)12-8-6-5-7-9-12/h5-11,14H,4H2,1-3H3
InChIKeyGFDQSRKGTCTSHT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.76
Rot. Bonds5

About N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine

N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine (PubChem CID 63199558) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
PubChem CID63199558
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
SMILESCCNC(C)C(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5/c1-4-14-11(3)10(2)13-15-16-17-18(13)12-8-6-5-7-9-12/h5-11,14H,4H2,1-3H3
InChIKeyGFDQSRKGTCTSHT-UHFFFAOYSA-N
XLogP1.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63197921
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
CID 103085163
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63198408
N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62529711
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 62529368
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine?
The IUPAC name of N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine (CID 63199558) is N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine is CCNC(C)C(C)c1nnnn1-c1ccccc1.
What is the InChIKey of N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine?
The InChIKey is GFDQSRKGTCTSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-14-11(3)10(2)13-15-16-17-18(13)12-8-6-5-7-9-12/h5-11,14H,4H2,1-3H3.
What are the key properties of N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine?
N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine is sourced from PubChem (CID 63199558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).