N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine

C14H21N5 — CID 62736519

IUPACN-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCCC(c1ccccc1)n1nnnc1CNC(C)C
InChIInChI=1S/C14H21N5/c1-4-13(12-8-6-5-7-9-12)19-14(16-17-18-19)10-15-11(2)3/h5-9,11,13,15H,4,10H2,1-3H3
InChIKeySWHRKUGOKYVKJL-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.17
Rot. Bonds6

About N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine

N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62736519) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62736519
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCCC(c1ccccc1)n1nnnc1CNC(C)C
InChIInChI=1S/C14H21N5/c1-4-13(12-8-6-5-7-9-12)19-14(16-17-18-19)10-15-11(2)3/h5-9,11,13,15H,4,10H2,1-3H3
InChIKeySWHRKUGOKYVKJL-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine (CID 62736519) is N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine is CCC(c1ccccc1)n1nnnc1CNC(C)C.
What is the InChIKey of N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is SWHRKUGOKYVKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-13(12-8-6-5-7-9-12)19-14(16-17-18-19)10-15-11(2)3/h5-9,11,13,15H,4,10H2,1-3H3.
What are the key properties of N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 259.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-phenylpropyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62736519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).