N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine

C15H23N5 — CID 62530302

IUPACN,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
SMILESCNCC(Cc1nnnn1-c1ccccc1)CC(C)C
InChIInChI=1S/C15H23N5/c1-12(2)9-13(11-16-3)10-15-17-18-19-20(15)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
InChIKeyWSJJZIUNKRXUGX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.09
Rot. Bonds7

About N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine

N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine (PubChem CID 62530302) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
PubChem CID62530302
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
SMILESCNCC(Cc1nnnn1-c1ccccc1)CC(C)C
InChIInChI=1S/C15H23N5/c1-12(2)9-13(11-16-3)10-15-17-18-19-20(15)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
InChIKeyWSJJZIUNKRXUGX-UHFFFAOYSA-N
XLogP2.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine?
The IUPAC name of N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine (CID 62530302) is N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine?
The canonical SMILES for N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine is CNCC(Cc1nnnn1-c1ccccc1)CC(C)C.
What is the InChIKey of N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine?
The InChIKey is WSJJZIUNKRXUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-12(2)9-13(11-16-3)10-15-17-18-19-20(15)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3.
What are the key properties of N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine?
N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine is sourced from PubChem (CID 62530302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).