1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

C15H19N5 — CID 60714049

IUPAC1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESc1ccc(-n2nnnc2CNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C15H19N5/c1-2-4-13(5-3-1)20-14(17-18-19-20)10-16-15(11-6-7-11)12-8-9-12/h1-5,11-12,15-16H,6-10H2
InChIKeyYZLUTROZEGGNGQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.94
Rot. Bonds6

About 1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (PubChem CID 60714049) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
PubChem CID60714049
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESc1ccc(-n2nnnc2CNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C15H19N5/c1-2-4-13(5-3-1)20-14(17-18-19-20)10-16-15(11-6-7-11)12-8-9-12/h1-5,11-12,15-16H,6-10H2
InChIKeyYZLUTROZEGGNGQ-UHFFFAOYSA-N
XLogP1.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 115714244
N-[(1-phenyltetrazol-5-yl)methyl]thian-4-amine
CID 115595882
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1,1-dioxo-N-[(1-phenyltetrazol-5-yl)methyl]thiolane-3-carboxamide
CID 119071240
N-[(1-phenyltetrazol-5-yl)methyl]morpholin-4-amine
CID 83021922
1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 62627239

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (CID 60714049) is 1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is c1ccc(-n2nnnc2CNC(C2CC2)C2CC2)cc1.
What is the InChIKey of 1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The InChIKey is YZLUTROZEGGNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-4-13(5-3-1)20-14(17-18-19-20)10-16-15(11-6-7-11)12-8-9-12/h1-5,11-12,15-16H,6-10H2.
What are the key properties of 1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine has a molecular weight of 269.35 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 1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 60714049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).