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

C13H19N5 — CID 60672263

IUPACN-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5/c1-3-7-11(2)14-10-13-15-16-17-18(13)12-8-5-4-6-9-12/h4-6,8-9,11,14H,3,7,10H2,1-2H3
InChIKeyLCHRKMSLYCRFCQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.94
Rot. Bonds6

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

N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine (PubChem CID 60672263) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
PubChem CID60672263
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5/c1-3-7-11(2)14-10-13-15-16-17-18(13)12-8-5-4-6-9-12/h4-6,8-9,11,14H,3,7,10H2,1-2H3
InChIKeyLCHRKMSLYCRFCQ-UHFFFAOYSA-N
XLogP1.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 62627239
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63198408
1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine
CID 62625643
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 62627609
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 60673289
1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 47010886
1-(1-phenyltetrazol-5-yl)hexan-3-ol
CID 79422541
1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60714049

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine (CID 60672263) is N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine is CCCC(C)NCc1nnnn1-c1ccccc1.
What is the InChIKey of N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine?
The InChIKey is LCHRKMSLYCRFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-7-11(2)14-10-13-15-16-17-18(13)12-8-5-4-6-9-12/h4-6,8-9,11,14H,3,7,10H2,1-2H3.
What are the key properties of N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine?
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine is sourced from PubChem (CID 60672263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).