N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine

C14H21N5 — CID 63198408

IUPACN-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
SMILESCCCC(Cc1nnnn1-c1ccccc1)NCC
InChIInChI=1S/C14H21N5/c1-3-8-12(15-4-2)11-14-16-17-18-19(14)13-9-6-5-7-10-13/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3
InChIKeyRIZPFAQLBUSUFW-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.98
Rot. Bonds7

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

N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine (PubChem CID 63198408) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
PubChem CID63198408
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
SMILESCCCC(Cc1nnnn1-c1ccccc1)NCC
InChIInChI=1S/C14H21N5/c1-3-8-12(15-4-2)11-14-16-17-18-19(14)13-9-6-5-7-10-13/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3
InChIKeyRIZPFAQLBUSUFW-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
CID 63202229
N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 62529368
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 62530476
1-(1-phenyltetrazol-5-yl)hexan-3-ol
CID 79422541
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62531179
N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62529711
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine
CID 63199473

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine (CID 63198408) is N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine is CCCC(Cc1nnnn1-c1ccccc1)NCC.
What is the InChIKey of N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine?
The InChIKey is RIZPFAQLBUSUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-8-12(15-4-2)11-14-16-17-18-19(14)13-9-6-5-7-10-13/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3.
What are the key properties of N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine?
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine has a molecular weight of 259.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine is sourced from PubChem (CID 63198408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).