2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine

C14H21N5 — CID 62530476

IUPAC2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5/c1-11(2)15-10-12(3)9-14-16-17-18-19(14)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3
InChIKeyDNQZALNTOQDDLW-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.84
Rot. Bonds6

About 2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine

2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 62530476) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID62530476
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5/c1-11(2)15-10-12(3)9-14-16-17-18-19(14)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3
InChIKeyDNQZALNTOQDDLW-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62531179
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62530302
2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 114690443
3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
CID 63202229
2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 107331259
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62529711
N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine
CID 63199473
N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 62529368
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63198408
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine (CID 62530476) is 2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)Cc1nnnn1-c1ccccc1.
What is the InChIKey of 2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is DNQZALNTOQDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(2)15-10-12(3)9-14-16-17-18-19(14)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3.
What are the key properties of 2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine?
2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62530476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).